 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer02_STD_M11_def2SVPD.in
 Output=26_junionone_conformer02_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-155896.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    155897.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=26_junionone_conformer02_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:46:10 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer02_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.530099000000     -1.508264000000      1.055941000000
  C                                                 1.992159000000     -0.420719000000      0.101332000000
  C                                                 0.876932000000      0.415329000000     -0.653089000000
  C                                                -0.458897000000      0.388684000000     -0.019490000000
  C                                                -1.593028000000      0.006415000000     -0.609535000000
  C                                                -2.888593000000      0.009125000000      0.113412000000
  O                                                -2.988808000000      0.357087000000      1.273828000000
  C                                                 2.991586000000     -0.980627000000     -0.904352000000
  C                                                 2.495653000000      0.903435000000      0.738484000000
  C                                                 1.692114000000      1.700286000000     -0.311172000000
  C                                                -4.090420000000     -0.451292000000     -0.680206000000
  H                                                 3.575623000000      1.052608000000      0.763044000000
  H                                                 2.105043000000      1.042496000000      1.747169000000
  H                                                 0.794893000000      0.176326000000     -1.714627000000
  H                                                 1.113755000000      2.550616000000      0.047344000000
  H                                                 2.299691000000      2.026935000000     -1.153691000000
  H                                                 0.828612000000     -1.129461000000      1.799490000000
  H                                                 2.386498000000     -1.929915000000      1.588481000000
  H                                                 1.037863000000     -2.321547000000      0.516973000000
  H                                                 3.338078000000     -0.213622000000     -1.599830000000
  H                                                 2.542413000000     -1.786694000000     -1.489631000000
  H                                                 3.866547000000     -1.384606000000     -0.389083000000
  H                                                -0.531254000000      0.709327000000      1.016743000000
  H                                                -1.593669000000     -0.320419000000     -1.644436000000
  H                                                -3.932675000000     -1.470886000000     -1.042306000000
  H                                                -4.222470000000      0.181706000000     -1.561921000000
  H                                                -4.984113000000     -0.413788000000     -0.062287000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 21:46:11 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.530099   -1.508264    1.055941
      2          6           0        1.992159   -0.420719    0.101332
      3          6           0        0.876932    0.415329   -0.653089
      4          6           0       -0.458897    0.388684   -0.019490
      5          6           0       -1.593028    0.006415   -0.609535
      6          6           0       -2.888593    0.009125    0.113412
      7          8           0       -2.988808    0.357087    1.273828
      8          6           0        2.991586   -0.980627   -0.904352
      9          6           0        2.495653    0.903435    0.738484
     10          6           0        1.692114    1.700286   -0.311172
     11          6           0       -4.090420   -0.451292   -0.680206
     12          1           0        3.575623    1.052608    0.763044
     13          1           0        2.105043    1.042496    1.747169
     14          1           0        0.794893    0.176326   -1.714627
     15          1           0        1.113755    2.550616    0.047344
     16          1           0        2.299691    2.026935   -1.153691
     17          1           0        0.828612   -1.129461    1.799490
     18          1           0        2.386498   -1.929915    1.588481
     19          1           0        1.037863   -2.321547    0.516973
     20          1           0        3.338078   -0.213622   -1.599830
     21          1           0        2.542413   -1.786694   -1.489631
     22          1           0        3.866547   -1.384606   -0.389083
     23          1           0       -0.531254    0.709327    1.016743
     24          1           0       -1.593669   -0.320419   -1.644436
     25          1           0       -3.932675   -1.470886   -1.042306
     26          1           0       -4.222470    0.181706   -1.561921
     27          1           0       -4.984113   -0.413788   -0.062287
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.519056   0.000000
     3  C    2.654736   1.584884   0.000000
     4  C    2.951452   2.584068   1.478715   0.000000
     5  C    3.849933   3.679856   2.503959   1.334367   0.000000
     6  C    4.766096   4.899658   3.864156   2.462753   1.483627
     7  O    4.893621   5.175883   4.319762   2.841500   2.370280
     8  C    2.501418   1.524386   2.546289   3.816258   4.698921
     9  C    2.617129   1.553336   2.189744   3.093357   4.397626
    10  C    3.491424   2.181479   1.559661   2.536183   3.708150
    11  C    5.976757   6.132659   5.042455   3.785507   2.539972
    12  H    3.290596   2.261839   3.113598   4.162992   5.449169
    13  H    2.704576   2.205112   2.768182   3.181563   4.505912
    14  H    3.324819   2.255574   1.091199   2.119098   2.636715
    15  H    4.202989   3.098926   2.259677   2.674257   3.772416
    16  H    4.239384   2.767791   2.207288   3.402953   4.419487
    17  H    1.090156   2.177131   2.898940   2.696504   3.599716
    18  H    1.093073   2.155177   3.578211   4.007212   4.941384
    19  H    1.092800   2.167161   2.980845   3.142202   3.689175
    20  H    3.463814   2.179068   2.710929   4.156593   5.034373
    21  H    2.753587   2.167909   2.884880   3.987662   4.592568
    22  H    2.749977   2.164004   3.499609   4.689416   5.638306
    23  H    3.027940   2.912489   2.204033   1.087118   2.065485
    24  H    4.296619   3.989477   2.761877   2.104990   1.085284
    25  H    5.852003   6.124901   5.180890   4.070785   2.800653
    26  H    6.542266   6.461497   5.185022   4.072642   2.802094
    27  H    6.699498   6.978194   5.948809   4.596017   3.460565
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.215601   0.000000
     8  C    6.049129   6.503773   0.000000
     9  C    5.493688   5.537545   2.548441   0.000000
    10  C    4.901344   5.121273   3.037727   1.543510   0.000000
    11  C    1.512019   2.384381   7.105297   6.871996   6.180872
    12  H    6.580043   6.620907   2.693576   1.090500   2.262970
    13  H    5.354757   5.161507   3.451021   1.090578   2.199992
    14  H    4.115550   4.824928   2.611617   3.072300   2.257686
    15  H    4.741554   4.811118   4.111162   2.258433   1.089079
    16  H    5.709238   6.053880   3.096178   2.209294   1.088893
    17  H    4.237552   4.130235   3.465742   2.835035   3.634281
    18  H    5.810533   5.850068   2.735232   2.960115   4.155624
    19  H    4.583879   4.895098   2.763198   3.546086   4.158005
    20  H    6.461907   6.972310   1.091807   2.724924   2.834234
    21  H    5.940584   6.544227   1.092727   3.493348   3.777672
    22  H    6.915700   7.265993   1.092821   2.895840   3.775022
    23  H    2.619797   2.495944   4.353958   3.045861   2.772855
    24  H    2.208044   3.304798   4.691286   4.888628   4.081325
    25  H    2.148540   3.097878   6.942966   7.080396   6.498395
    26  H    2.148430   3.097443   7.336622   7.137642   6.233198
    27  H    2.144978   2.522042   8.040034   7.636963   7.007372
                   11         12         13         14         15
    11  C    0.000000
    12  H    7.944363   0.000000
    13  H    6.819627   1.769522   0.000000
    14  H    5.032913   3.826119   3.801418   0.000000
    15  H    6.051795   2.969352   2.479210   2.973797   0.000000
    16  H    6.870176   2.500238   3.069527   2.450269   1.767250
    17  H    5.550287   3.658103   2.519804   3.749031   4.085865
    18  H    7.020237   3.315239   2.989921   4.228473   4.906132
    19  H    5.588415   4.229149   3.737518   3.358339   4.895333
    20  H    7.488977   2.691271   3.781615   2.575467   3.911752
    21  H    6.814172   3.768780   4.321167   2.637783   4.818258
    22  H    8.016804   2.711466   3.682023   3.691698   4.822272
    23  H    4.110272   4.129000   2.755828   3.082716   2.652571
    24  H    2.679670   5.865385   5.200095   2.440678   4.293612
    25  H    1.093422   8.124152   7.110014   5.051259   6.544178
    26  H    1.093410   8.183776   7.192250   5.019689   6.056135
    27  H    1.087160   8.723564   7.459962   6.039484   6.781129
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.565982   0.000000
    18  H    4.814946   1.764160   0.000000
    19  H    4.826243   1.763436   1.766443   0.000000
    20  H    2.509459   4.323373   3.743861   3.770304   0.000000
    21  H    3.836083   3.766615   3.085384   2.564410   1.766290
    22  H    3.831224   3.752866   2.529559   3.114522   1.765330
    23  H    3.802778   2.417244   3.975646   3.449362   4.761304
    24  H    4.572653   4.287496   5.374380   3.949831   4.933105
    25  H    7.147695   5.555378   6.860298   5.278373   7.399689
    26  H    6.790442   6.207389   7.619871   6.185400   7.570971
    27  H    7.759001   6.145419   7.703868   6.343444   8.465398
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.768110   0.000000
    23  H    4.686092   5.069670   0.000000
    24  H    4.391025   5.702838   3.044828   0.000000
    25  H    6.498200   7.827005   4.534609   2.675273   0.000000
    26  H    7.045812   8.322324   4.533538   2.677598   1.756429
    27  H    7.782723   8.909740   4.717377   3.742596   1.784213
                   26         27
    26  H    0.000000
    27  H    1.784269   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.11D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.530099   -1.508264    1.055941
      2          6           0        1.992159   -0.420719    0.101332
      3          6           0        0.876932    0.415329   -0.653089
      4          6           0       -0.458897    0.388684   -0.019490
      5          6           0       -1.593028    0.006415   -0.609535
      6          6           0       -2.888593    0.009125    0.113412
      7          8           0       -2.988808    0.357087    1.273828
      8          6           0        2.991586   -0.980627   -0.904352
      9          6           0        2.495653    0.903435    0.738484
     10          6           0        1.692114    1.700286   -0.311172
     11          6           0       -4.090420   -0.451292   -0.680206
     12          1           0        3.575623    1.052608    0.763044
     13          1           0        2.105043    1.042496    1.747169
     14          1           0        0.794893    0.176326   -1.714627
     15          1           0        1.113755    2.550616    0.047344
     16          1           0        2.299691    2.026935   -1.153691
     17          1           0        0.828612   -1.129461    1.799490
     18          1           0        2.386498   -1.929915    1.588481
     19          1           0        1.037863   -2.321547    0.516973
     20          1           0        3.338078   -0.213622   -1.599830
     21          1           0        2.542413   -1.786694   -1.489631
     22          1           0        3.866547   -1.384606   -0.389083
     23          1           0       -0.531254    0.709327    1.016743
     24          1           0       -1.593669   -0.320419   -1.644436
     25          1           0       -3.932675   -1.470886   -1.042306
     26          1           0       -4.222470    0.181706   -1.561921
     27          1           0       -4.984113   -0.413788   -0.062287
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.2586681           0.5040654           0.4908743
 Leave Link  202 at Thu Aug 12 21:46:11 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   373 symmetry adapted cartesian basis functions of A   symmetry.
 There are   351 symmetry adapted basis functions of A   symmetry.
   351 basis functions,   515 primitive gaussians,   373 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       609.3387863805 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:46:12 2021, MaxMem=  5368709120 cpu:               6.1 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   351 RedAO= T EigKep=  1.68D-05  NBF=   351
 NBsUse=   351 1.00D-06 EigRej= -1.00D+00 NBFU=   351
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   373   373   373   373   373 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Thu Aug 12 21:46:12 2021, MaxMem=  5368709120 cpu:               3.2 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:46:12 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer02_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:46:13 2021, MaxMem=  5368709120 cpu:               3.0 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368424127 LenY=  5368284557
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.238151566799    
 DIIS: error= 3.71D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.238151566799     IErMin= 1 ErrMin= 3.71D-03
 ErrMax= 3.71D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.67D-02 BMatP= 1.67D-02
 IDIUse=3 WtCom= 9.63D-01 WtEn= 3.71D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.380 Goal=   None    Shift=    0.000
 GapD=    0.380 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=9.06D-03 MaxDP=5.21D-01              OVMax= 2.29D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.58D-03    CP:  1.14D+00
 E= -465.256163110732     Delta-E=       -0.018011543933 Rises=F Damp=F
 DIIS: error= 1.13D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.256163110732     IErMin= 2 ErrMin= 1.13D-03
 ErrMax= 1.13D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.51D-04 BMatP= 1.67D-02
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.13D-02
 Coeff-Com: -0.299D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.296D-01 0.103D+01
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=1.82D-03 MaxDP=1.28D-01 DE=-1.80D-02 OVMax= 1.15D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.66D-04    CP:  1.18D+00  1.16D+00
 E= -465.256685420760     Delta-E=       -0.000522310028 Rises=F Damp=F
 DIIS: error= 1.13D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -465.256685420760     IErMin= 2 ErrMin= 1.13D-03
 ErrMax= 1.13D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.46D-04 BMatP= 7.51D-04
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.13D-02
 Coeff-Com: -0.650D-01 0.537D+00 0.528D+00
 Coeff-En:   0.000D+00 0.129D+00 0.871D+00
 Coeff:     -0.642D-01 0.533D+00 0.532D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=2.12D-04 MaxDP=1.45D-02 DE=-5.22D-04 OVMax= 5.80D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.43D-04    CP:  1.18D+00  1.17D+00  1.03D+00
 E= -465.257194122746     Delta-E=       -0.000508701986 Rises=F Damp=F
 DIIS: error= 2.50D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.257194122746     IErMin= 4 ErrMin= 2.50D-04
 ErrMax= 2.50D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.79D-05 BMatP= 7.46D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.50D-03
 Coeff-Com: -0.147D-01 0.370D-01 0.163D+00 0.815D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.147D-01 0.369D-01 0.163D+00 0.815D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=8.07D-05 MaxDP=2.46D-03 DE=-5.09D-04 OVMax= 1.45D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.99D-05    CP:  1.18D+00  1.18D+00  1.06D+00  1.09D+00
 E= -465.257221023567     Delta-E=       -0.000026900820 Rises=F Damp=F
 DIIS: error= 7.60D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.257221023567     IErMin= 5 ErrMin= 7.60D-05
 ErrMax= 7.60D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.67D-06 BMatP= 2.79D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.251D-02-0.462D-01-0.106D-01 0.258D+00 0.796D+00
 Coeff:      0.251D-02-0.462D-01-0.106D-01 0.258D+00 0.796D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=2.68D-05 MaxDP=1.02D-03 DE=-2.69D-05 OVMax= 6.46D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.05D-05    CP:  1.18D+00  1.18D+00  1.08D+00  1.11D+00  1.01D+00
 E= -465.257224344830     Delta-E=       -0.000003321263 Rises=F Damp=F
 DIIS: error= 2.01D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.257224344830     IErMin= 6 ErrMin= 2.01D-05
 ErrMax= 2.01D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.05D-07 BMatP= 2.67D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.166D-02-0.168D-01-0.126D-01 0.346D-01 0.246D+00 0.747D+00
 Coeff:      0.166D-02-0.168D-01-0.126D-01 0.346D-01 0.246D+00 0.747D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=7.12D-06 MaxDP=2.14D-04 DE=-3.32D-06 OVMax= 3.38D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.65D-06    CP:  1.18D+00  1.17D+00  1.08D+00  1.12D+00  1.05D+00
                    CP:  1.03D+00
 E= -465.257224639348     Delta-E=       -0.000000294518 Rises=F Damp=F
 DIIS: error= 5.73D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.257224639348     IErMin= 7 ErrMin= 5.73D-06
 ErrMax= 5.73D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.13D-08 BMatP= 2.05D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.172D-03 0.122D-02-0.218D-02-0.287D-01-0.462D-01 0.274D+00
 Coeff-Com:  0.801D+00
 Coeff:      0.172D-03 0.122D-02-0.218D-02-0.287D-01-0.462D-01 0.274D+00
 Coeff:      0.801D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=3.88D-06 MaxDP=2.40D-04 DE=-2.95D-07 OVMax= 1.18D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.69D-06    CP:  1.18D+00  1.17D+00  1.08D+00  1.12D+00  1.06D+00
                    CP:  1.11D+00  9.95D-01
 E= -465.257224707576     Delta-E=       -0.000000068228 Rises=F Damp=F
 DIIS: error= 1.95D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.257224707576     IErMin= 8 ErrMin= 1.95D-06
 ErrMax= 1.95D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.96D-09 BMatP= 4.13D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.166D-03 0.203D-02 0.173D-02-0.728D-02-0.355D-01-0.512D-01
 Coeff-Com:  0.389D-01 0.105D+01
 Coeff:     -0.166D-03 0.203D-02 0.173D-02-0.728D-02-0.355D-01-0.512D-01
 Coeff:      0.389D-01 0.105D+01
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=1.23D-06 MaxDP=4.01D-05 DE=-6.82D-08 OVMax= 6.71D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.41D-07    CP:  1.18D+00  1.17D+00  1.08D+00  1.12D+00  1.06D+00
                    CP:  1.13D+00  1.09D+00  1.18D+00
 E= -465.257224714531     Delta-E=       -0.000000006955 Rises=F Damp=F
 DIIS: error= 5.11D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.257224714531     IErMin= 9 ErrMin= 5.11D-07
 ErrMax= 5.11D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.48D-10 BMatP= 1.96D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.434D-04 0.280D-03 0.578D-03 0.733D-03-0.334D-02-0.222D-01
 Coeff-Com: -0.639D-01 0.201D+00 0.887D+00
 Coeff:     -0.434D-04 0.280D-03 0.578D-03 0.733D-03-0.334D-02-0.222D-01
 Coeff:     -0.639D-01 0.201D+00 0.887D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=3.86D-07 MaxDP=2.89D-05 DE=-6.96D-09 OVMax= 1.67D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.57D-07    CP:  1.18D+00  1.17D+00  1.08D+00  1.12D+00  1.06D+00
                    CP:  1.13D+00  1.09D+00  1.26D+00  1.08D+00
 E= -465.257224715055     Delta-E=       -0.000000000524 Rises=F Damp=F
 DIIS: error= 1.60D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.257224715055     IErMin=10 ErrMin= 1.60D-07
 ErrMax= 1.60D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.04D-11 BMatP= 2.48D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.145D-04-0.242D-03-0.920D-04 0.115D-02 0.421D-02 0.555D-02
 Coeff-Com: -0.266D-01-0.104D+00 0.183D+00 0.936D+00
 Coeff:      0.145D-04-0.242D-03-0.920D-04 0.115D-02 0.421D-02 0.555D-02
 Coeff:     -0.266D-01-0.104D+00 0.183D+00 0.936D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=1.81D-07 MaxDP=1.48D-05 DE=-5.24D-10 OVMax= 6.99D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.01D-07    CP:  1.18D+00  1.17D+00  1.08D+00  1.12D+00  1.06D+00
                    CP:  1.13D+00  1.09D+00  1.29D+00  1.18D+00  1.23D+00
 E= -465.257224715184     Delta-E=       -0.000000000129 Rises=F Damp=F
 DIIS: error= 4.87D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.257224715184     IErMin=11 ErrMin= 4.87D-08
 ErrMax= 4.87D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.02D-12 BMatP= 4.04D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.704D-05-0.716D-04-0.637D-04 0.126D-03 0.102D-02 0.424D-02
 Coeff-Com: -0.292D-03-0.358D-01-0.661D-01 0.155D+00 0.942D+00
 Coeff:      0.704D-05-0.716D-04-0.637D-04 0.126D-03 0.102D-02 0.424D-02
 Coeff:     -0.292D-03-0.358D-01-0.661D-01 0.155D+00 0.942D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=5.85D-08 MaxDP=3.61D-06 DE=-1.29D-10 OVMax= 2.07D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.15D-08    CP:  1.18D+00  1.17D+00  1.08D+00  1.12D+00  1.06D+00
                    CP:  1.13D+00  1.09D+00  1.30D+00  1.20D+00  1.35D+00
                    CP:  1.23D+00
 E= -465.257224715187     Delta-E=       -0.000000000003 Rises=F Damp=F
 DIIS: error= 1.69D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -465.257224715187     IErMin=12 ErrMin= 1.69D-08
 ErrMax= 1.69D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.54D-13 BMatP= 4.02D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.626D-06 0.171D-04 0.415D-05-0.122D-03-0.358D-03 0.382D-03
 Coeff-Com:  0.247D-02 0.794D-02-0.353D-01-0.883D-01 0.180D+00 0.934D+00
 Coeff:     -0.626D-06 0.171D-04 0.415D-05-0.122D-03-0.358D-03 0.382D-03
 Coeff:      0.247D-02 0.794D-02-0.353D-01-0.883D-01 0.180D+00 0.934D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=2.31D-08 MaxDP=1.53D-06 DE=-2.73D-12 OVMax= 5.97D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.07D-08    CP:  1.18D+00  1.17D+00  1.08D+00  1.12D+00  1.06D+00
                    CP:  1.13D+00  1.09D+00  1.30D+00  1.20D+00  1.39D+00
                    CP:  1.37D+00  1.18D+00
 E= -465.257224715191     Delta-E=       -0.000000000004 Rises=F Damp=F
 DIIS: error= 5.78D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -465.257224715191     IErMin=13 ErrMin= 5.78D-09
 ErrMax= 5.78D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.04D-14 BMatP= 4.54D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.783D-06 0.113D-04 0.793D-05-0.501D-04-0.197D-03-0.251D-03
 Coeff-Com:  0.510D-03 0.574D-02-0.400D-02-0.393D-01-0.411D-01 0.257D+00
 Coeff-Com:  0.821D+00
 Coeff:     -0.783D-06 0.113D-04 0.793D-05-0.501D-04-0.197D-03-0.251D-03
 Coeff:      0.510D-03 0.574D-02-0.400D-02-0.393D-01-0.411D-01 0.257D+00
 Coeff:      0.821D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=5.95D-09 MaxDP=4.55D-07 DE=-4.09D-12 OVMax= 1.43D-07

 SCF Done:  E(RM11) =  -465.257224715     A.U. after   13 cycles
            NFock= 13  Conv=0.60D-08     -V/T= 2.0124
 KE= 4.595390554238D+02 PE=-2.296147024333D+03 EE= 7.620119578138D+02
 Leave Link  502 at Thu Aug 12 21:49:37 2021, MaxMem=  5368709120 cpu:            1629.1 elap:             204.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   351
 NBasis=   351 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    351 NOA=    42 NOB=    42 NVA=   309 NVB=   309

 **** Warning!!: The largest alpha MO coefficient is  0.51625505D+02

 Leave Link  801 at Thu Aug 12 21:49:38 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8180 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.16D-13 8.33D-09 XBig12= 1.00D+00 4.75D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.16D-13 8.33D-09 XBig12= 1.50D-01 5.73D-02.
     11 vectors produced by pass  2 Test12= 2.16D-13 8.33D-09 XBig12= 2.58D-02 9.31D-02.
     11 vectors produced by pass  3 Test12= 2.16D-13 8.33D-09 XBig12= 3.04D-03 1.51D-02.
     11 vectors produced by pass  4 Test12= 2.16D-13 8.33D-09 XBig12= 2.79D-04 2.63D-03.
     11 vectors produced by pass  5 Test12= 2.16D-13 8.33D-09 XBig12= 1.95D-05 6.04D-04.
     11 vectors produced by pass  6 Test12= 2.16D-13 8.33D-09 XBig12= 6.99D-07 1.63D-04.
     11 vectors produced by pass  7 Test12= 2.16D-13 8.33D-09 XBig12= 2.41D-08 3.52D-05.
     11 vectors produced by pass  8 Test12= 2.16D-13 8.33D-09 XBig12= 7.03D-10 5.69D-06.
     11 vectors produced by pass  9 Test12= 2.16D-13 8.33D-09 XBig12= 1.46D-11 5.89D-07.
      9 vectors produced by pass 10 Test12= 2.16D-13 8.33D-09 XBig12= 2.87D-13 7.20D-08.
      1 vectors produced by pass 11 Test12= 2.16D-13 8.33D-09 XBig12= 1.01D-14 8.41D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   120 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.168567D+03
      2  0.503755D+01  0.108444D+03
      3  0.297865D+01  0.295409D+01  0.112275D+03
 Isotropic polarizability for W=    0.085645      129.76 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.670171D+02 -0.251606D+02 -0.197894D+01
      2   0.618184D+02  0.355546D+01  0.845942D+01
      3   0.519869D+01  0.216052D+02 -0.648048D+01
      4  -0.366978D+02  0.938786D+02 -0.266398D+02
      5  -0.298932D+02 -0.283842D+02  0.764383D+01
      6  -0.132460D+02 -0.181586D+02 -0.110251D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.690452D+01 -0.818562D+01  0.507205D+01
      2   0.306071D+02 -0.850842D+01  0.526975D+01
      3   0.229388D+02 -0.397638D+02  0.135193D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.174446D+01 -0.266180D+02  0.326303D+02
      2   0.279143D+02 -0.133938D+02  0.244514D+01
      3  -0.115372D+02 -0.320601D+02  0.151383D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.206931D+01 -0.544333D+01 -0.436608D+01
      2  -0.544333D+01 -0.410770D-01  0.492164D+01
      3  -0.436608D+01  0.492164D+01 -0.392190D+01
 OR G Eigenvalues:    -7.3333    -4.2416     9.6812  Iso=     0.6312
 Eigenvectors:
   (1)   0.111550  -0.497381   0.860331
   (2)   0.729052   0.629267   0.269269
   (3)   0.675307  -0.597189  -0.432811
 w=    0.085645 a.u., Optical Rotation Beta=      0.6312 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      196.65 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   61776 ScalPx= 4.92D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.03D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.60D-14 2.78D-09 XBig12= 1.00D+00 5.22D-01.
     30 vectors produced by pass  1 Test12= 3.60D-14 2.78D-09 XBig12= 9.11D-02 6.89D-02.
     30 vectors produced by pass  2 Test12= 3.60D-14 2.78D-09 XBig12= 5.79D-03 2.66D-02.
     30 vectors produced by pass  3 Test12= 3.60D-14 2.78D-09 XBig12= 7.34D-05 1.03D-03.
     30 vectors produced by pass  4 Test12= 3.60D-14 2.78D-09 XBig12= 1.31D-06 1.14D-04.
     30 vectors produced by pass  5 Test12= 3.60D-14 2.78D-09 XBig12= 2.90D-08 1.60D-05.
     30 vectors produced by pass  6 Test12= 3.60D-14 2.78D-09 XBig12= 3.71D-10 1.63D-06.
     30 vectors produced by pass  7 Test12= 3.60D-14 2.78D-09 XBig12= 3.87D-12 1.53D-07.
     21 vectors produced by pass  8 Test12= 3.60D-14 2.78D-09 XBig12= 3.48D-14 1.72D-08.
      2 vectors produced by pass  9 Test12= 3.60D-14 2.78D-09 XBig12= 8.45D-15 7.31D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   263 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 3.96D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 3.96D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.92D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.168567D+03  0.503755D+01  0.297865D+01
      2   0.503755D+01  0.108444D+03  0.295409D+01
      3   0.297865D+01  0.295409D+01  0.112275D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.690452D+01 -0.818562D+01  0.507205D+01
      2   0.306071D+02 -0.850842D+01  0.526975D+01
      3   0.229388D+02 -0.397638D+02  0.135193D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.670171D+02 -0.251606D+02 -0.197894D+01
      2   0.618184D+02  0.355546D+01  0.845942D+01
      3   0.519869D+01  0.216052D+02 -0.648048D+01
      4  -0.366978D+02  0.938786D+02 -0.266398D+02
      5  -0.298932D+02 -0.283842D+02  0.764383D+01
      6  -0.132460D+02 -0.181586D+02 -0.110251D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.266057D+01  0.222992D+01 -0.387852D+01  0.170261D+01  0.358081D+00
      2   0.222992D+01  0.281721D+00  0.381574D+01  0.358081D+00  0.274576D+01
      3  -0.387852D+01  0.381574D+01  0.950520D-01  0.379107D+01  0.179854D+01
                 6             7             8             9            10 
      1   0.379107D+01 -0.424817D+01  0.380707D+01  0.376876D+00  0.196383D+02
      2   0.179854D+01  0.380707D+01  0.212057D+01 -0.557273D-01 -0.383833D+01
      3  -0.676790D+00  0.376876D+00 -0.557273D-01 -0.176320D+01  0.399951D+01
                11            12            13            14            15 
      1  -0.383833D+01  0.399951D+01 -0.782703D+01  0.214481D+01 -0.396072D+01
      2   0.390136D+00 -0.354023D+01  0.214481D+01 -0.425837D+01 -0.257137D+01
      3  -0.354023D+01 -0.660432D+00 -0.396072D+01 -0.257137D+01 -0.136704D+00
                16            17            18            19            20 
      1   0.155182D+02 -0.480896D+01  0.128672D+00 -0.422306D+02 -0.479900D+00
      2  -0.480896D+01 -0.255801D+01 -0.184290D+00 -0.479900D+00 -0.414263D+01
      3   0.128672D+00 -0.184290D+00  0.788432D+00 -0.226934D+01  0.102608D+01
                21            22            23            24            25 
      1  -0.226934D+01  0.462349D+01 -0.958175D+01  0.217357D+01 -0.567046D+01
      2   0.102608D+01 -0.958175D+01 -0.150878D+01 -0.100597D+01  0.200708D+01
      3  -0.272538D-02  0.217357D+01 -0.100597D+01  0.212279D+01  0.536412D-01
                26            27            28            29            30 
      1   0.200708D+01  0.536412D-01  0.625194D+02  0.376071D+01  0.925772D+00
      2  -0.115439D+01  0.216729D+01  0.376071D+01  0.350393D+01 -0.692070D+00
      3   0.216729D+01  0.441594D+01  0.925772D+00 -0.692070D+00  0.148916D+01
                31            32            33            34            35 
      1   0.107395D+02  0.682463D+01 -0.184332D+01  0.883586D+01 -0.672225D+00
      2   0.682463D+01  0.305437D+01 -0.136505D+00 -0.672225D+00  0.100370D+01
      3  -0.184332D+01 -0.136505D+00 -0.122327D+01  0.164683D+01 -0.162985D+01
                36            37            38            39            40 
      1   0.164683D+01 -0.579478D+02 -0.339825D+01  0.276001D+01 -0.120198D+02
      2  -0.162985D+01 -0.339825D+01 -0.219434D+01  0.917443D+00 -0.504729D+01
      3  -0.316913D+01  0.276001D+01  0.917443D+00 -0.107260D+01  0.147440D+01
                41            42            43            44            45 
      1  -0.504729D+01  0.147440D+01 -0.108955D+02 -0.318928D+00 -0.364763D+01
      2  -0.237366D+01 -0.635231D+00 -0.318928D+00 -0.169932D+01  0.174574D+01
      3  -0.635231D+00  0.184388D+01 -0.364763D+01  0.174574D+01  0.274220D+01
                46            47            48            49            50 
      1   0.198619D+02  0.104622D+01 -0.351443D+01 -0.440158D+01 -0.422637D+00
      2   0.104622D+01 -0.815836D+00 -0.719170D-01 -0.422637D+00 -0.613675D+00
      3  -0.351443D+01 -0.719170D-01 -0.838028D+00  0.237091D+01 -0.851970D+00
                51            52            53            54            55 
      1   0.237091D+01 -0.248369D+02  0.473663D+00  0.804785D+01 -0.493751D+01
      2  -0.851970D+00  0.473663D+00  0.144167D+00 -0.876733D+00  0.670407D+00
      3  -0.156688D+01  0.804785D+01 -0.876733D+00 -0.583480D+01  0.279840D+01
                56            57            58            59            60 
      1   0.670407D+00  0.279840D+01  0.733744D+01 -0.173098D+01 -0.244972D+01
      2  -0.358736D+00 -0.354975D+00 -0.173098D+01  0.179848D+01  0.289878D+01
      3  -0.354975D+00 -0.980085D+00 -0.244972D+01  0.289878D+01  0.158908D+01
                61            62            63            64            65 
      1   0.241583D+02 -0.196950D+00 -0.921866D+01 -0.673566D+01  0.209081D+01
      2  -0.196950D+00  0.157712D+01  0.122906D+01  0.209081D+01 -0.810425D-01
      3  -0.921866D+01  0.122906D+01  0.109432D+02 -0.277618D+01  0.394527D+01
                66            67            68            69            70 
      1  -0.277618D+01  0.247303D+01 -0.102199D+01  0.381916D+01 -0.672852D+01
      2   0.394527D+01 -0.102199D+01  0.180941D+01  0.348594D+01  0.409363D+01
      3   0.868278D+00  0.381916D+01  0.348594D+01 -0.815822D+00 -0.551467D-01
                71            72            73            74            75 
      1   0.409363D+01 -0.551467D-01 -0.634989D+01 -0.147100D+01 -0.128331D+01
      2   0.320276D+01 -0.308013D+00 -0.147100D+01  0.181536D+01 -0.375191D+00
      3  -0.308013D+00  0.138096D+01 -0.128331D+01 -0.375191D+00  0.265006D+01
                76            77            78            79            80 
      1  -0.176421D+01  0.284012D+01 -0.607502D+00  0.249970D+00 -0.202040D+00
      2   0.284012D+01  0.497136D+01  0.321844D+01 -0.202040D+00  0.276459D+01
      3  -0.607502D+00  0.321844D+01 -0.103095D+01  0.243739D+01 -0.151743D+01
                81            82            83            84            85 
      1   0.243739D+01  0.676007D+01  0.266010D+01  0.819631D+00  0.530246D+01
      2  -0.151743D+01  0.266010D+01  0.405385D+01  0.311402D+01  0.584627D+01
      3  -0.327489D+01  0.819631D+00  0.311402D+01 -0.278878D+01  0.223326D+01
                86            87            88            89            90 
      1   0.584627D+01  0.223326D+01  0.763298D+01  0.540885D+01 -0.336700D+01
      2  -0.151563D+01 -0.230636D+00  0.540885D+01 -0.271381D-01 -0.308449D+00
      3  -0.230636D+00 -0.132558D+00 -0.336700D+01 -0.308449D+00  0.775479D+00
                91            92            93            94            95 
      1   0.133648D+01 -0.131658D+01 -0.435638D+01 -0.252222D+01  0.519002D+00
      2  -0.131658D+01 -0.866098D+00 -0.107014D+01  0.519002D+00  0.403022D+01
      3  -0.435638D+01 -0.107014D+01  0.134023D+01 -0.989918D+00  0.363628D+01
                96            97            98            99           100 
      1  -0.989918D+00 -0.734605D+01 -0.111371D+01  0.338083D+01  0.114422D+02
      2   0.363628D+01 -0.111371D+01  0.297595D+01 -0.103265D+01  0.227576D+01
      3  -0.150960D+01  0.338083D+01 -0.103265D+01  0.392706D+01  0.230841D+01
               101           102           103           104           105 
      1   0.227576D+01  0.230841D+01  0.109360D+01  0.153355D+01  0.264506D+00
      2   0.180368D+01  0.570579D+00  0.153355D+01  0.603448D+00  0.157299D+00
      3   0.570579D+00  0.137401D+01  0.264506D+00  0.157299D+00  0.304528D+00
               106           107           108           109           110 
      1   0.595048D+00  0.221858D+00  0.127375D+01 -0.312338D+00  0.424376D+00
      2   0.221858D+00 -0.231586D+00  0.556362D+00  0.424376D+00 -0.872054D+00
      3   0.127375D+01  0.556362D+00  0.111951D+01  0.107550D+01 -0.238620D+00
               111           112           113           114           115 
      1   0.107550D+01  0.154680D+00 -0.219833D+00  0.460535D-01  0.931598D+00
      2  -0.238620D+00 -0.219833D+00  0.425298D+00  0.929319D+00  0.710525D-01
      3  -0.183149D+01  0.460535D-01  0.929319D+00  0.101192D+01  0.291219D-03
               116           117           118           119           120 
      1   0.710525D-01  0.291219D-03 -0.484090D+00 -0.465709D+00 -0.938011D+00
      2   0.160711D+01  0.165297D+01 -0.465709D+00  0.297610D+00 -0.127211D+00
      3   0.165297D+01  0.799772D+01 -0.938011D+00 -0.127211D+00 -0.407712D+00
               121           122           123           124           125 
      1  -0.176066D+01  0.453259D+00 -0.482668D-01 -0.106856D+01  0.359243D-01
      2   0.453259D+00 -0.512184D+00 -0.111410D+01  0.359243D-01 -0.112156D+01
      3  -0.482668D-01 -0.111410D+01 -0.124649D+01  0.907507D-01 -0.779463D+00
               126           127           128           129           130 
      1   0.907507D-01 -0.193925D+01  0.166899D+01  0.615420D-01  0.248486D+00
      2  -0.779463D+00  0.166899D+01 -0.382433D+01 -0.565236D+00 -0.178331D+01
      3  -0.737958D+01  0.615420D-01 -0.565236D+00 -0.299770D+00 -0.388951D+00
               131           132           133           134           135 
      1  -0.178331D+01 -0.388951D+00  0.185516D+00 -0.736699D+00  0.141910D+00
      2   0.828412D+01  0.748498D+00 -0.736699D+00  0.204961D+01  0.142562D+01
      3   0.748498D+00  0.959214D+00  0.141910D+00  0.142562D+01  0.586279D+00
               136           137           138           139           140 
      1   0.297086D+01  0.158263D+01 -0.189523D+01 -0.532267D-01  0.113003D+01
      2   0.158263D+01  0.153559D+01 -0.143217D+01  0.113003D+01  0.272175D+01
      3  -0.189523D+01 -0.143217D+01  0.223182D+01 -0.111658D+01 -0.167240D+01
               141           142           143           144           145 
      1  -0.111658D+01 -0.426865D+01 -0.244086D+01  0.274507D+01 -0.342340D+01
      2  -0.167240D+01 -0.244086D+01 -0.285624D+01  0.248066D+01  0.497880D+00
      3   0.140175D+01  0.274507D+01  0.248066D+01 -0.441143D+01  0.192729D+01
               146           147           148           149           150 
      1   0.497880D+00  0.192729D+01  0.154981D+01 -0.100122D+01 -0.511275D+00
      2  -0.110749D+01 -0.165145D+00 -0.100122D+01  0.693233D+00  0.251319D+00
      3  -0.165145D+00 -0.234349D+01 -0.511275D+00  0.251319D+00  0.121891D+01
               151           152           153           154           155 
      1   0.166872D+01 -0.412455D+00 -0.203078D+01  0.560399D+01 -0.279321D+01
      2  -0.412455D+00  0.686510D+00  0.721184D-01 -0.279321D+01  0.284581D+01
      3  -0.203078D+01  0.721184D-01  0.436913D+01  0.298278D+01 -0.215634D+01
               156           157           158           159           160 
      1   0.298278D+01 -0.165968D+01  0.194761D+01 -0.142262D+01  0.206120D+01
      2  -0.215634D+01  0.194761D+01 -0.290376D+01  0.148650D+01 -0.164776D+01
      3   0.273013D+01 -0.142262D+01  0.148650D+01 -0.124659D+01  0.214570D+01
               161           162           163           164           165 
      1  -0.164776D+01  0.214570D+01 -0.128986D+01 -0.171091D+01 -0.129280D-01
      2   0.140714D+01 -0.188514D+01 -0.171091D+01 -0.239257D+01 -0.586794D+00
      3  -0.188514D+01  0.326332D+01 -0.129280D-01 -0.586794D+00 -0.644052D+00
               166           167           168           169           170 
      1  -0.136149D+01 -0.144414D+01 -0.575217D+00 -0.477857D+00 -0.822844D+00
      2  -0.144414D+01 -0.643694D+01 -0.870301D+00 -0.822844D+00 -0.271259D+01
      3  -0.575217D+00 -0.870301D+00 -0.113785D+01 -0.505314D+00 -0.108289D+01
               171           172           173           174           175 
      1  -0.505314D+00  0.275402D+01  0.838475D+00 -0.131719D+01  0.200130D+01
      2  -0.108289D+01  0.838475D+00  0.710548D+00 -0.102082D+01  0.979544D+00
      3  -0.115758D+01 -0.131719D+01 -0.102082D+01  0.130824D+01 -0.181062D+01
               176           177           178           179           180 
      1   0.979544D+00 -0.181062D+01 -0.152042D+01 -0.113243D+01  0.216427D+01
      2   0.262718D+01 -0.185315D+01 -0.113243D+01 -0.181267D+01  0.156781D+01
      3  -0.185315D+01  0.249033D+01  0.216427D+01  0.156781D+01 -0.419931D+01
               181           182           183           184           185 
      1  -0.494501D+00 -0.856263D+00 -0.229344D+00 -0.132040D+01  0.203609D+00
      2  -0.856263D+00 -0.175831D+01 -0.128737D+01  0.203609D+00 -0.530312D+01
      3  -0.229344D+00 -0.128737D+01 -0.136022D+01 -0.175087D+00 -0.297153D+01
               186           187           188           189           190 
      1  -0.175087D+00 -0.210765D+00 -0.289557D+00  0.913835D-01  0.869324D+01
      2  -0.297153D+01 -0.289557D+00 -0.275166D+01 -0.235814D+01 -0.319228D+01
      3  -0.231663D+01  0.913835D-01 -0.235814D+01 -0.328298D+01  0.124342D+01
               191           192           193           194           195 
      1  -0.319228D+01  0.124342D+01 -0.281169D+01  0.248743D+01 -0.676890D+00
      2   0.198998D+01 -0.736901D+00  0.248743D+01 -0.219143D+01  0.912855D-01
      3  -0.736901D+00  0.121516D+01 -0.676890D+00  0.912855D-01 -0.492436D+00
               196           197           198           199           200 
      1   0.462751D+01 -0.171972D+01  0.139550D+01  0.139678D+01  0.559743D+00
      2  -0.171972D+01  0.978260D+00 -0.623999D+00  0.559743D+00 -0.361420D-01
      3   0.139550D+01 -0.623999D+00  0.127580D+01  0.823050D+00  0.475762D-02
               201           202           203           204           205 
      1   0.823050D+00  0.134243D+01 -0.948092D+00  0.298487D+00  0.176832D+01
      2   0.475762D-02 -0.948092D+00  0.615733D+00  0.102544D+01  0.517943D+00
      3  -0.704127D-01  0.298487D+00  0.102544D+01  0.116767D+01  0.469292D+00
               206           207           208           209           210 
      1   0.517943D+00  0.469292D+00 -0.151041D+01 -0.639432D+00 -0.126791D+01
      2   0.139462D+01  0.114620D+01 -0.639432D+00 -0.466420D-01 -0.799582D-01
      3   0.114620D+01  0.454073D+01 -0.126791D+01 -0.799582D-01  0.214997D+00
               211           212           213           214           215 
      1  -0.831358D+00  0.223954D+00 -0.726828D+00 -0.182370D+01 -0.571740D+00
      2   0.223954D+00 -0.558008D+00 -0.950899D+00 -0.571740D+00 -0.128330D+01
      3  -0.726828D+00 -0.950899D+00 -0.175227D+01 -0.108005D+01 -0.159912D+01
               216           217           218           219           220 
      1  -0.108005D+01 -0.843909D+00 -0.796839D+00  0.326356D+00 -0.304395D+01
      2  -0.159912D+01 -0.796839D+00  0.546557D+00  0.360257D+00 -0.182470D+01
      3  -0.659628D+01  0.326356D+00  0.360257D+00  0.227575D+00 -0.732272D+00
               221           222           223           224           225 
      1  -0.182470D+01 -0.732272D+00 -0.932122D+00 -0.413837D+00 -0.131141D+01
      2  -0.750435D+01 -0.269524D+01 -0.413837D+00 -0.213075D+01 -0.166932D+01
      3  -0.269524D+01 -0.188618D+01 -0.131141D+01 -0.166932D+01 -0.237110D+01
               226           227           228           229           230 
      1  -0.251089D+01  0.914162D+00 -0.697635D+00  0.240095D+01 -0.115799D+01
      2   0.914162D+00 -0.247362D+00  0.531184D+00 -0.115799D+01  0.171075D+01
      3  -0.697635D+00  0.531184D+00 -0.863495D+00  0.140227D+01 -0.233042D+01
               231           232           233           234           235 
      1   0.140227D+01 -0.312502D+01  0.431614D+00 -0.316449D+01 -0.930663D+01
      2  -0.233042D+01  0.431614D+00 -0.218667D+01  0.181499D+01 -0.261482D+00
      3   0.280933D+01 -0.316449D+01  0.181499D+01 -0.641520D+01  0.238474D+01
               236           237           238           239           240 
      1  -0.261482D+00  0.238474D+01  0.407454D+00 -0.130795D+01  0.162115D+00
      2  -0.103119D+01  0.215771D+00 -0.130795D+01 -0.411202D+00  0.162063D+00
      3   0.215771D+00 -0.158142D+01  0.162115D+00  0.162063D+00  0.251624D+00
               241           242           243 
      1   0.491946D+01  0.432031D+00 -0.220952D+01
      2   0.432031D+00  0.613753D+00  0.523939D-01
      3  -0.220952D+01  0.523939D-01  0.172968D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.532590D+01  0.872232D+01  0.636948D+01  0.828065D+01  0.934195D+01
      2  -0.727808D+01  0.192762D+01  0.764304D+01  0.557493D+01  0.194962D+01
      3  -0.331651D+01 -0.872158D+01  0.153256D+01 -0.965684D+00 -0.535632D+01
                 6             7             8             9            10 
      1  -0.128215D+01  0.627706D+01  0.584583D+01 -0.493804D+01  0.612508D+01
      2  -0.613456D+01  0.322525D+01 -0.602126D+01 -0.365194D+01  0.186087D+02
      3  -0.105523D+02  0.602391D+00 -0.116757D+02 -0.960997D+00  0.102828D+02
                11            12            13            14            15 
      1  -0.574475D+01 -0.373885D+00 -0.893485D+01 -0.534432D+01 -0.588657D+01
      2  -0.911231D+01  0.275702D+01 -0.122339D+02 -0.378225D+01 -0.703230D+00
      3  -0.279319D+01  0.762528D+01  0.752274D+01  0.106689D+02  0.104488D+02
                16            17            18            19            20 
      1   0.374456D+01  0.390677D+01 -0.501129D+00 -0.555649D+00  0.394964D+01
      2   0.252406D+01 -0.819934D-01  0.259803D+01 -0.306141D+02 -0.792432D+00
      3   0.100948D+02  0.111743D+02  0.595222D+00 -0.180490D+02 -0.458286D+01
                21            22            23            24            25 
      1  -0.138174D+01  0.142111D+02  0.418823D+01 -0.185926D+01 -0.479703D+01
      2   0.187299D+01  0.211414D+01 -0.742162D+01  0.354359D+01 -0.151606D+02
      3  -0.239052D+01  0.505327D+01 -0.690073D+01  0.312005D+01 -0.319004D+01
                26            27            28            29            30 
      1   0.531235D+01 -0.397423D+01 -0.547043D+01  0.180835D+00  0.802504D-01
      2   0.217151D+01  0.151224D+01  0.398772D+02  0.478404D+01 -0.324990D+01
      3   0.395814D-01 -0.964044D+00  0.181433D+02  0.842845D+01 -0.110364D+01
                31            32            33            34            35 
      1  -0.298614D+01 -0.286246D+01 -0.280005D+01  0.161498D+01 -0.196603D+00
      2   0.120493D+02  0.353923D+01 -0.111255D+01 -0.135820D+02 -0.117752D+01
      3   0.335051D+02  0.706307D+01  0.230172D+00 -0.111009D+01 -0.634459D+00
                36            37            38            39            40 
      1   0.331198D+01  0.404375D+01  0.109944D+01 -0.760596D+00  0.692105D+01
      2   0.146070D+01 -0.468587D+02 -0.396793D+01  0.126680D+02 -0.135207D+02
      3  -0.290091D+00 -0.148209D+02 -0.115922D+02  0.159424D+01 -0.966982D+01
                41            42            43            44            45 
      1   0.854040D+00 -0.470288D+01  0.181142D+01  0.301969D+00  0.698010D+00
      2  -0.278692D+01 -0.149090D+01 -0.134022D+02 -0.365969D+01 -0.685405D+01
      3  -0.603431D+01 -0.125138D+01  0.709509D+00  0.606157D+00  0.134799D+01
                46            47            48            49            50 
      1  -0.291501D+00 -0.239953D+01  0.234785D+01  0.538043D+01 -0.367141D+01
      2   0.137069D+02  0.367294D+01 -0.296391D+01 -0.422548D+01  0.226139D+01
      3  -0.306472D-01  0.121689D+02 -0.506086D+01  0.250021D+02  0.184577D+01
                51            52            53            54            55 
      1  -0.680562D+01  0.281097D+01 -0.409704D+01  0.212890D+01 -0.117147D+01
      2   0.647856D+01 -0.488419D+02 -0.531329D-01  0.279449D+02 -0.324156D+01
      3  -0.178660D+01 -0.572379D+01 -0.955814D+01 -0.132526D+01  0.874992D+00
                56            57            58            59            60 
      1   0.871057D+00 -0.497614D+00  0.184633D+00  0.271303D+01 -0.174258D+01
      2   0.767199D+00  0.653605D+01  0.773005D+01 -0.844514D+01 -0.821425D+01
      3  -0.724475D+01  0.159033D+00 -0.685030D+01  0.577078D+01  0.773307D+01
                61            62            63            64            65 
      1  -0.172698D+01  0.897693D+01 -0.346697D+00 -0.526315D+01  0.541894D+01
      2   0.286844D+02 -0.353958D+01 -0.438283D+02 -0.155327D+02  0.157026D+02
      3   0.432111D+01  0.131155D+02  0.271720D+01 -0.127974D+01 -0.424639D+01
                66            67            68            69            70 
      1  -0.464561D+01  0.790155D+01  0.248802D+01 -0.790577D+01 -0.727819D+01
      2   0.179756D+01  0.148164D+02  0.114181D+02  0.214249D+01 -0.994158D+01
      3  -0.108694D+02  0.566878D+01 -0.622055D+01 -0.176919D+02 -0.115646D+02
                71            72            73            74            75 
      1  -0.149470D+01  0.351208D+01 -0.174755D+01  0.579198D+01 -0.483457D+01
      2   0.451871D+01  0.646703D+01  0.750817D+01  0.198148D+01  0.128522D+02
      3  -0.161823D+02  0.132542D+01 -0.224093D+01 -0.128074D+02  0.608273D+00
                76            77            78            79            80 
      1   0.248046D+01  0.144482D+01  0.424933D+01 -0.402508D+01  0.928076D+01
      2   0.407153D+00  0.608313D+01 -0.329023D+01  0.440536D+01 -0.517867D+01
      3  -0.653160D+01 -0.113693D+02 -0.119050D+02  0.198271D+01 -0.109290D+02
                81            82            83            84            85 
      1   0.202018D+01 -0.360065D+01 -0.125538D+02  0.713895D+01 -0.150894D+02
      2  -0.134153D+02  0.709108D+01  0.678951D+01 -0.255404D+01  0.820027D+01
      3   0.881580D+01  0.151774D+01 -0.729227D+01 -0.531481D+01  0.645578D+01
                86            87            88            89            90 
      1   0.964121D+00 -0.357159D+01  0.506478D+01  0.288216D+01 -0.768246D+00
      2   0.409325D+01  0.137825D+01 -0.336342D+01  0.272971D+01 -0.916034D+00
      3   0.146966D+02  0.745381D+01 -0.105461D+01  0.125560D+02 -0.855916D+01
                91            92            93            94            95 
      1  -0.677621D+00  0.217120D+01  0.116490D+01 -0.563417D+01 -0.249971D+01
      2   0.188118D+02  0.288585D+01 -0.528627D+01  0.331522D+01 -0.155527D+02
      3  -0.657122D+01 -0.104885D+02 -0.252461D+01  0.128267D+02  0.189173D+02
                96            97            98            99           100 
      1  -0.839442D+01  0.447843D+01 -0.672759D+00  0.354380D+01 -0.791790D+00
      2   0.743937D+01 -0.237869D+02  0.331836D+01 -0.139303D+02 -0.505311D+01
      3   0.207585D+02 -0.430925D+01  0.117752D+02 -0.709435D+01  0.698857D+01
               101           102           103           104           105 
      1   0.187787D+01 -0.161208D+01  0.510238D+00  0.140538D+00 -0.139647D+01
      2  -0.255815D+00  0.480939D+01 -0.599690D+00 -0.860360D+00  0.871009D+00
      3  -0.624137D+01  0.863720D+00 -0.108259D+01 -0.135161D+00  0.449399D+00
               106           107           108           109           110 
      1  -0.114388D+01  0.331321D-02 -0.770675D+00 -0.912680D+00 -0.179291D+01
      2   0.169722D+01  0.120584D+01  0.238792D+01  0.490799D+01 -0.983432D+00
      3   0.236712D+00  0.708393D+00 -0.158523D+00 -0.201198D+01  0.207551D+01
               111           112           113           114           115 
      1   0.213129D+01 -0.862212D+00 -0.921937D+00 -0.109051D+01  0.385232D+00
      2  -0.593376D+01 -0.395166D+00  0.327798D+01  0.270429D+01 -0.490200D+01
      3   0.184810D+01  0.243992D+01 -0.988762D+00 -0.220873D+01  0.156674D+01
               116           117           118           119           120 
      1   0.241520D+01 -0.776700D+01  0.128933D+01  0.377257D+00  0.230819D+00
      2   0.426323D+01  0.226642D+02 -0.243905D+01 -0.707255D+00 -0.179842D+00
      3  -0.354059D+01 -0.467922D+01  0.297566D+00 -0.125621D+01 -0.423873D+00
               121           122           123           124           125 
      1   0.712376D+00  0.166124D+01  0.645541D+00 -0.147659D+00  0.454975D+01
      2  -0.162272D+01 -0.472977D+00 -0.133485D+01 -0.409436D+01 -0.462710D+00
      3   0.232345D+01  0.312597D+00  0.597679D+00 -0.381135D+00  0.273601D+00
               126           127           128           129           130 
      1   0.379529D+01 -0.684227D+00  0.295300D+01  0.197147D+01  0.165254D+01
      2  -0.675200D+01 -0.496453D+00 -0.669227D+00  0.358485D+00 -0.149246D+01
      3   0.681717D+00 -0.882101D+01  0.921006D+01  0.124632D+01  0.850901D+01
               131           132           133           134           135 
      1  -0.485448D+01 -0.503934D+01  0.102492D+00 -0.281249D+01 -0.250057D+01
      2   0.440243D+00  0.612659D+00 -0.102306D+01  0.196736D+01  0.104887D+01
      3  -0.182431D+02 -0.204690D+01  0.259009D+01 -0.527855D+01 -0.225069D+01
               136           137           138           139           140 
      1   0.363153D+01  0.192665D+01 -0.522158D+01  0.234457D+01  0.201080D+01
      2  -0.932028D+00 -0.166817D+01  0.436583D+01 -0.201512D+01 -0.238697D+01
      3   0.395249D+01 -0.173175D+01 -0.127446D+01  0.977161D-01 -0.348359D+01
               141           142           143           144           145 
      1  -0.312504D+01 -0.485212D+01 -0.133335D+01  0.957147D+01  0.605621D+01
      2   0.249531D+01  0.314847D+00  0.305337D+01 -0.648383D+01  0.110570D+02
      3   0.618809D+00 -0.372008D+01  0.142044D+01  0.919579D+00  0.630981D+01
               146           147           148           149           150 
      1  -0.404514D+01 -0.467817D+01 -0.389165D+01  0.293071D+01  0.143487D+01
      2  -0.162385D+01 -0.527860D+01 -0.447190D+01  0.213755D+01  0.246355D+01
      3  -0.648379D+00 -0.349180D+01  0.336719D+00  0.581993D+00  0.815260D+00
               151           152           153           154           155 
      1  -0.507028D+01  0.343672D+01  0.776958D+01  0.178688D+01  0.373704D+00
      2  -0.826899D+01  0.108425D+01  0.901417D+01 -0.251153D+01 -0.840540D+00
      3  -0.332915D+01  0.117653D+01  0.411481D+01 -0.473581D+01 -0.240914D+01
               156           157           158           159           160 
      1   0.297549D+01 -0.738101D-01 -0.127409D+01 -0.195396D+01  0.149154D+01
      2   0.312321D+01  0.165167D+01  0.252956D+00 -0.580993D+00 -0.158119D+01
      3  -0.690760D+00  0.204676D+01  0.255409D+01  0.268416D+00 -0.256236D+01
               161           162           163           164           165 
      1  -0.125697D+00  0.406574D+01 -0.239715D+01 -0.426857D+01 -0.333206D+01
      2  -0.853117D+00  0.377422D+01  0.194065D+01  0.154146D+01  0.277060D+00
      3   0.915892D-01 -0.332133D+00  0.786378D+01  0.630891D+01  0.139592D+01
               166           167           168           169           170 
      1  -0.325194D+01 -0.972569D+01 -0.570717D+01 -0.240608D+01 -0.386162D+01
      2   0.994334D+00  0.173326D+01  0.822570D-01 -0.125407D+01 -0.690968D-01
      3   0.757033D+01  0.138391D+02  0.262746D+01  0.363842D+01  0.629218D+01
               171           172           173           174           175 
      1  -0.469877D+01 -0.251636D+01 -0.249615D+01  0.247242D+01 -0.261604D+01
      2  -0.400020D+00 -0.131446D+01 -0.239015D+01  0.403528D+01 -0.260046D+01
      3   0.313728D+01 -0.430601D+01 -0.426367D+01  0.473596D+01 -0.330361D+01
               176           177           178           179           180 
      1  -0.731850D+01  0.380122D+01  0.354600D+01  0.628033D+01 -0.577650D+01
      2  -0.538777D+01  0.695498D+01  0.331002D+01  0.417354D+01 -0.118266D+02
      3  -0.111210D+02  0.760101D+01  0.465898D+01  0.796355D+01 -0.700627D+01
               181           182           183           184           185 
      1   0.702630D+00  0.812371D+00 -0.888432D+00 -0.132318D-01  0.277306D+01
      2  -0.268912D+01 -0.517408D+01 -0.370000D+01 -0.322177D+01 -0.102927D+02
      3   0.493615D+01  0.580631D+01  0.448639D+01  0.328333D+01  0.171952D+02
               186           187           188           189           190 
      1  -0.182850D+01  0.559376D+00  0.174620D+01 -0.260046D+01  0.482691D+01
      2  -0.804023D+01 -0.185147D+01 -0.835761D+01 -0.104465D+02  0.119415D+02
      3   0.102587D+02  0.250442D+01  0.989577D+01  0.812697D+01  0.203287D+00
               191           192           193           194           195 
      1  -0.270354D+01  0.322173D+01 -0.310544D+01  0.188479D+01 -0.185117D+01
      2  -0.574384D+01  0.818473D+01 -0.502391D+01  0.246728D+01 -0.338915D+01
      3  -0.573807D+01  0.118568D+01 -0.330773D+01  0.539521D+01  0.527814D+00
               196           197           198           199           200 
      1   0.294201D+01 -0.405676D+00  0.252940D+01  0.292883D+00 -0.545802D+00
      2   0.684523D+01 -0.328094D+01  0.654766D+01  0.453876D+00  0.173568D+00
      3   0.177945D+01 -0.232082D+01  0.545237D+00  0.101469D+01  0.131687D+00
               201           202           203           204           205 
      1   0.867746D-01 -0.478492D+01  0.440447D-01 -0.119223D+01  0.797278D+00
      2  -0.501495D+00 -0.171043D+01 -0.178514D+01 -0.879842D-01 -0.417800D+01
      3   0.497583D+00  0.135787D+01  0.311057D+00  0.813330D+00  0.185797D+01
               206           207           208           209           210 
      1   0.286922D+01 -0.349551D+01  0.160667D+01  0.130113D-01  0.923689D-01
      2   0.591473D+00 -0.275201D+01  0.127367D+01 -0.419806D+00 -0.993584D+00
      3   0.158183D+01 -0.101676D-01 -0.288582D+01 -0.624949D+00 -0.132475D+00
               211           212           213           214           215 
      1  -0.596231D+01  0.531418D+00 -0.608009D-01  0.213689D+01  0.432871D+01
      2   0.150111D+01  0.195438D+01  0.272374D+01 -0.291002D+01  0.242010D+01
      3   0.954466D+01 -0.190383D+00 -0.168458D+01 -0.305207D+01 -0.303302D+01
               216           217           218           219           220 
      1   0.493076D+00 -0.312992D-01 -0.639592D+00 -0.222429D+00  0.192519D+01
      2   0.107407D+02 -0.596133D+00 -0.191706D+01  0.547671D+00 -0.835205D+00
      3  -0.328506D+01 -0.812490D+00  0.316883D+01  0.230893D+01 -0.628543D+01
               221           222           223           224           225 
      1   0.576965D+01 -0.141162D+00  0.218629D-01  0.197316D+01  0.592283D-01
      2   0.967718D+01  0.708141D+01  0.329901D+01  0.657437D+01  0.840812D+01
      3  -0.334295D+02 -0.127572D+02 -0.772192D+00 -0.928279D+01 -0.731737D+01
               226           227           228           229           230 
      1  -0.512725D+00  0.557971D+00 -0.778626D+00  0.227333D+01 -0.314948D+01
      2   0.611320D+00 -0.146011D+01  0.403413D+01 -0.387310D+01  0.912146D+01
      3   0.219894D+01 -0.276294D+01  0.207921D+01 -0.753971D+01  0.782989D+01
               231           232           233           234           235 
      1   0.261603D+01 -0.251824D+01  0.429544D+01 -0.470049D+01  0.158827D+01
      2  -0.116330D+02  0.886339D+01 -0.766771D+01  0.250550D+02 -0.167403D+02
      3  -0.118367D+02  0.450257D+01 -0.949281D+01  0.108020D+02  0.277869D+01
               236           237           238           239           240 
      1   0.925163D-01 -0.105639D+01  0.935484D+00  0.403053D+00 -0.548354D+00
      2  -0.102172D+01  0.109174D+02 -0.512551D+00 -0.123240D+01 -0.959526D+00
      3  -0.607667D+01 -0.367030D+00 -0.372150D+01 -0.995364D+00  0.888479D+00
               241           242           243 
      1  -0.130010D+01  0.818745D+00  0.816569D+00
      2   0.106868D+02 -0.182231D+00 -0.985632D+01
      3  -0.276509D+00  0.325748D+01  0.110413D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.702332D+01  0.642739D+01 -0.600931D+01  0.397143D+01  0.329209D+01
      2  -0.747126D+00 -0.156090D+02 -0.884025D+01 -0.120713D+02 -0.140281D+02
      3  -0.627620D+01  0.918157D+01  0.148496D+02  0.809984D+01  0.107360D+02
      4   0.142115D+02 -0.913827D+01  0.226705D+02 -0.671954D+01  0.688957D+01
      5  -0.176072D+02  0.188186D+02 -0.945130D+01  0.182931D+02  0.387762D+01
      6   0.142377D+02 -0.154430D+02  0.816812D+01 -0.110837D+02 -0.620190D+01
                 6             7             8             9            10 
      1   0.205015D+02 -0.672364D+01  0.207965D+02  0.159814D+01 -0.722038D+00
      2  -0.153705D+02 -0.948114D+01 -0.179085D+02  0.432973D+01  0.911697D+01
      3  -0.513103D+01  0.162048D+02 -0.288801D+01 -0.592787D+01 -0.839493D+01
      4  -0.623806D+01  0.232853D+02 -0.858340D+01  0.191894D+01 -0.159661D+02
      5   0.582181D+01 -0.845615D+01  0.793044D+01 -0.548223D+01  0.127649D+02
      6   0.317921D+01  0.645399D+01  0.233045D+01  0.207856D+01 -0.997785D+01
                11            12            13            14            15 
      1  -0.444411D+01  0.726196D+01 -0.821737D+01 -0.697601D+01 -0.194253D+02
      2   0.271184D+01  0.732268D+00  0.372072D+01  0.103094D+02  0.908741D+01
      3   0.173226D+01 -0.799422D+01  0.449665D+01 -0.333338D+01  0.103379D+02
      4   0.184212D+01 -0.191289D+02  0.671291D+01 -0.237947D+02 -0.749218D+01
      5  -0.163287D+02 -0.733056D+01 -0.169770D+02 -0.166755D+02  0.557314D+00
      6   0.777411D+01 -0.141373D+01 -0.130857D+01  0.738895D+00 -0.637659D+01
                16            17            18            19            20 
      1   0.526841D+01 -0.195493D+02 -0.651604D+01  0.388484D+02  0.858283D+01
      2   0.714338D+01  0.112537D+02 -0.119307D+01 -0.415853D+02 -0.116447D+02
      3  -0.124118D+02  0.829564D+01  0.770911D+01  0.273691D+01  0.306190D+01
      4  -0.273080D+02 -0.418767D+01  0.192013D+00  0.902582D+00 -0.116705D+02
      5  -0.846413D+01  0.568328D-01  0.323196D+01  0.440006D+01  0.265149D+01
      6  -0.138501D+01 -0.478277D+01 -0.374460D+00  0.671913D+01 -0.164872D+01
                21            22            23            24            25 
      1   0.215088D+01  0.185980D+02  0.455622D+01  0.564743D+01  0.135992D+01
      2  -0.207937D+01 -0.186826D+02 -0.126408D+02  0.148518D+01 -0.530654D+01
      3  -0.715108D-01  0.846024D-01  0.808456D+01 -0.713262D+01  0.394661D+01
      4   0.412158D+01 -0.343859D+02 -0.574179D+01 -0.364605D+01  0.100008D+02
      5   0.470739D+01  0.198053D+01  0.202870D+01  0.307797D+01  0.332959D+01
      6   0.195619D+01  0.695144D+01  0.443052D+01  0.174199D+01  0.205535D+01
                26            27            28            29            30 
      1   0.728624D+01  0.154554D+02 -0.118336D+03 -0.682237D+01  0.441677D+01
      2  -0.166366D+01  0.674681D+01  0.878316D+02  0.524197D+01 -0.160348D+01
      3  -0.562258D+01 -0.222022D+02  0.305044D+02  0.158041D+01 -0.281329D+01
      4  -0.542662D+01  0.666866D+01  0.354963D+01 -0.865182D+01  0.149193D+01
      5   0.412598D+01  0.553424D+01 -0.573870D+01  0.136395D+01 -0.100843D+02
      6   0.630333D+00 -0.458684D-01 -0.134440D+02 -0.476659D+01  0.113071D+01
                31            32            33            34            35 
      1  -0.288290D+02 -0.225238D+02  0.619779D+01 -0.280439D+02  0.198932D+01
      2   0.240083D+02  0.222877D+02 -0.454179D+01  0.177023D+02 -0.280440D+01
      3   0.482070D+01  0.236155D+00 -0.165600D+01  0.103416D+02  0.815083D+00
      4  -0.290404D+01 -0.741663D+01  0.200823D+01 -0.201617D+01  0.536287D+00
      5  -0.854634D+00  0.243120D-01 -0.180167D+01  0.393317D-01  0.162188D+01
      6  -0.290102D+01 -0.684223D+01  0.424165D+01 -0.193903D+01  0.109688D+00
                36            37            38            39            40 
      1  -0.302460D+01  0.147209D+03  0.105551D+02 -0.869095D+01  0.283431D+02
      2  -0.188914D+01 -0.104876D+03 -0.689034D+01  0.601497D+01 -0.147292D+02
      3   0.491374D+01 -0.423330D+02 -0.366480D+01  0.267598D+01 -0.136140D+02
      4   0.156174D+01 -0.450153D+01  0.156653D+02 -0.146416D+01  0.302940D+02
      5   0.297860D+01 -0.966174D+01 -0.284140D+01  0.179583D+02 -0.535468D+01
      6  -0.478279D+01  0.152255D+02  0.520570D+01 -0.274886D+01  0.110292D+02
                41            42            43            44            45 
      1   0.266154D+01  0.208193D+01  0.284596D+02  0.777833D+01  0.123491D+02
      2   0.336015D+01  0.324068D+01 -0.179791D+02 -0.299351D+01 -0.810944D+00
      3  -0.602168D+01 -0.532260D+01 -0.104806D+02 -0.478482D+01 -0.115381D+02
      4   0.649903D+01  0.323391D+01 -0.267942D+01  0.323788D+01 -0.655372D+01
      5   0.345835D+01 -0.486006D+01  0.239943D+02 -0.476844D+01 -0.871077D+01
      6   0.765946D+00  0.486218D+01 -0.237048D+01  0.310667D+01 -0.554999D+01
                46            47            48            49            50 
      1  -0.659057D+02 -0.458515D+01 -0.498296D+01  0.162659D+01 -0.381531D+01
      2   0.470421D+02 -0.169625D+01 -0.606923D+00 -0.605923D+01  0.676298D+01
      3   0.188636D+02  0.628140D+01  0.558988D+01  0.443265D+01 -0.294767D+01
      4  -0.384124D+01 -0.141664D+02 -0.304326D+01 -0.813162D+00  0.179250D+01
      5   0.630345D+01 -0.235612D+00 -0.122174D+02 -0.185773D+02  0.591203D+01
      6  -0.106317D+02 -0.203618D+01 -0.148177D-01  0.182322D+01 -0.465644D+01
                51            52            53            54            55 
      1  -0.573083D+01  0.442320D+02 -0.256449D+01 -0.125875D+02  0.281844D+02
      2   0.756576D+01 -0.423432D+02 -0.175330D+01  0.187492D+02 -0.164813D+02
      3  -0.183492D+01 -0.188877D+01  0.431778D+01 -0.616170D+01 -0.117031D+02
      4   0.729721D+01 -0.208299D+02  0.784951D+01  0.943621D+01 -0.770947D+01
      5   0.777133D+01 -0.543365D+02  0.472044D+01  0.435542D+02 -0.211908D+02
      6   0.323813D+01  0.120247D+02 -0.581068D+01 -0.624331D+01  0.161817D+01
                56            57            58            59            60 
      1  -0.346400D+01 -0.122331D+02 -0.206187D+02 -0.152382D+01  0.165608D+01
      2   0.289182D+01  0.813453D+01  0.132908D+02  0.175055D+01 -0.230224D+01
      3   0.572181D+00  0.409855D+01  0.732792D+01 -0.226726D+00  0.646159D+00
      4   0.120303D+02  0.402917D+01  0.213007D+02 -0.138693D+02 -0.202628D+02
      5   0.315434D+01  0.192941D+02  0.148906D+02 -0.198736D+02 -0.114369D+02
      6  -0.133984D+01 -0.135912D+01 -0.980227D+01  0.758080D+01  0.133496D+02
                61            62            63            64            65 
      1  -0.655538D+02 -0.366740D+01 -0.138464D+01 -0.293477D+02  0.198184D+02
      2   0.515669D+02  0.269809D+01 -0.291148D+02  0.644455D+01 -0.411196D+01
      3   0.139869D+02  0.969305D+00  0.304994D+02  0.229031D+02 -0.157065D+02
      4   0.120527D+02 -0.170977D+02 -0.142545D+02  0.202725D+02 -0.614957D+01
      5   0.615378D+02 -0.882500D+01 -0.753255D+02 -0.163703D+02  0.224798D+02
      6  -0.105485D+02  0.143432D+02  0.815775D+01  0.811396D+01 -0.100962D+02
                66            67            68            69            70 
      1  -0.117664D+02  0.148307D+02  0.491497D+01  0.327109D+02 -0.212102D+02
      2  -0.940745D+00  0.970202D+00 -0.394084D+00 -0.244287D+02  0.136298D+01
      3   0.127072D+02 -0.158009D+02 -0.452088D+01 -0.828226D+01  0.198472D+02
      4   0.274622D+02 -0.111917D+02  0.708942D+01  0.121043D+02  0.328456D+02
      5   0.555864D+01  0.229748D+02  0.173936D+02 -0.122692D+02  0.316642D+01
      6  -0.815020D+01 -0.567537D+01 -0.104954D+02 -0.895384D+01 -0.691675D+01
                71            72            73            74            75 
      1   0.342077D+02  0.301350D+01 -0.482072D+02 -0.142552D+02 -0.122005D+02
      2  -0.244334D+02  0.126420D+01  0.202414D+02  0.777648D+01 -0.328415D+01
      3  -0.977439D+01 -0.427770D+01  0.279658D+02  0.647874D+01  0.154847D+02
      4   0.882134D+01 -0.603952D+01 -0.199133D+02  0.188436D+01 -0.266600D+01
      5  -0.984892D+01  0.704716D+01 -0.142194D+02 -0.324773D+01  0.102555D+02
      6  -0.875160D+01 -0.314321D+00 -0.236042D+01 -0.226664D+01  0.630538D+01
                76            77            78            79            80 
      1  -0.132126D+02  0.108439D+02 -0.367744D+01 -0.281396D+01 -0.223854D+01
      2   0.104295D+02 -0.554011D+01  0.989240D+01 -0.578638D+01  0.749779D+01
      3   0.278308D+01 -0.530376D+01 -0.621496D+01  0.860034D+01 -0.525925D+01
      4   0.114956D+02  0.258030D+02  0.136994D+02  0.469091D+00  0.691968D+01
      5  -0.418048D+01  0.215063D+02 -0.468860D+01  0.131048D+02 -0.496921D+01
      6   0.371714D+01  0.102800D+02  0.153691D+01  0.572976D+01 -0.529463D+00
                81            82            83            84            85 
      1   0.218795D+02 -0.911051D+01 -0.953055D+01 -0.898967D+01 -0.112181D+02
      2  -0.166876D+01  0.158418D+02  0.239178D+02  0.136602D+02  0.228328D+02
      3  -0.202107D+02 -0.673126D+01 -0.143872D+02 -0.467050D+01 -0.116148D+02
      4  -0.174454D+01  0.925764D+01  0.961621D+01  0.112914D+02  0.201440D+02
      5  -0.108386D+02  0.308654D+01  0.119039D+02 -0.149833D+02  0.114193D+02
      6  -0.857311D+01  0.176786D+01  0.128796D+02 -0.126111D+02  0.557811D+01
                86            87            88            89            90 
      1   0.112249D+02  0.970759D+01 -0.240776D+02  0.110227D+02 -0.910257D+01
      2  -0.111637D+02 -0.866832D+01  0.281105D+02 -0.902985D+01  0.513330D+01
      3  -0.612541D-01 -0.103927D+01 -0.403285D+01 -0.199288D+01  0.396927D+01
      4   0.986782D+01  0.551265D+01  0.208597D+02  0.128638D+02 -0.955569D+01
      5  -0.202718D+01 -0.164072D+01 -0.195950D+02 -0.506569D+01  0.630002D+01
      6  -0.684387D+01 -0.333103D+01 -0.162609D+02 -0.535723D+01  0.744137D+01
                91            92            93            94            95 
      1  -0.191665D+02  0.645802D+01  0.371935D+02  0.171650D+02  0.109990D+02
      2   0.787635D+01 -0.168198D+01 -0.173074D+02 -0.139803D+02 -0.984294D+01
      3   0.112902D+02 -0.477605D+01 -0.198861D+02 -0.318461D+01 -0.115605D+01
      4   0.115471D+02  0.111677D+02  0.108969D+02 -0.553016D+01 -0.298060D+02
      5   0.421388D+02  0.100539D+02 -0.478210D+01  0.119795D+02 -0.275939D+02
      6   0.590755D+01  0.405463D+01  0.227101D+01 -0.312156D+01 -0.976809D+01
                96            97            98            99           100 
      1   0.989253D+01  0.538398D+02  0.979999D+01 -0.196907D+02  0.859533D+02
      2  -0.155216D+02 -0.247633D+02 -0.123089D+02  0.148746D+02 -0.426961D+02
      3   0.562902D+01 -0.290765D+02  0.250893D+01  0.481606D+01 -0.432572D+02
      4  -0.295349D+02  0.121652D+02 -0.227308D+02  0.108421D+02  0.330366D+02
      5   0.171287D+02 -0.238319D+02  0.113694D+02 -0.296707D+02  0.259632D+02
      6  -0.898437D+01  0.296829D+01 -0.573698D+01  0.552300D+01  0.693566D+01
               101           102           103           104           105 
      1   0.140030D+02  0.135488D+02  0.657011D+01  0.827590D+01  0.111579D+01
      2  -0.406143D+01 -0.836145D+01 -0.375287D+00 -0.342113D+00 -0.103885D+01
      3  -0.994162D+01 -0.518732D+01 -0.619482D+01 -0.793379D+01 -0.769430D-01
      4   0.183208D+02  0.712549D+01  0.157740D+02  0.710098D+01  0.231680D+01
      5   0.600582D+01  0.143592D+02  0.302109D+01  0.197219D+01  0.217941D+01
      6   0.406450D+01  0.366530D+01  0.316118D+01  0.640483D+00  0.233552D+01
               106           107           108           109           110 
      1   0.365901D+01  0.114109D+01  0.634998D+01  0.663888D+00  0.463328D+01
      2  -0.357560D+01 -0.228617D+01 -0.592114D+01 -0.303785D+01 -0.289675D+01
      3  -0.834167D-01  0.114508D+01 -0.428836D+00  0.237396D+01 -0.173653D+01
      4   0.250925D+01 -0.408419D+00  0.509734D+01  0.191901D+01 -0.187953D+01
      5   0.126660D+02  0.385996D+01  0.763802D+01  0.366192D+01  0.290183D+00
      6   0.324930D+01  0.200134D+01  0.307419D+01  0.320868D+01 -0.253811D+01
               111           112           113           114           115 
      1   0.105489D+02  0.198019D+01 -0.709128D+01 -0.358235D+01  0.680752D+01
      2  -0.686190D-01 -0.148722D+01  0.221413D+01  0.146383D+01 -0.376707D+01
      3  -0.104803D+02 -0.492979D+00  0.487715D+01  0.211852D+01 -0.304046D+01
      4   0.150323D+01  0.939546D+00  0.748153D+00  0.367153D+01  0.301500D+01
      5  -0.289758D+01  0.106485D+01  0.251931D+01  0.400031D+01  0.540534D+01
      6  -0.457504D+01 -0.838986D+00  0.427021D+01  0.912332D+01  0.754006D+00
               116           117           118           119           120 
      1  -0.558569D+01 -0.237134D+02 -0.204888D+00 -0.317271D+00 -0.285937D+01
      2   0.637230D+00 -0.123177D+02 -0.421154D+01  0.520642D-01 -0.370859D+00
      3   0.494846D+01  0.360311D+02  0.441643D+01  0.265206D+00  0.323023D+01
      4   0.693590D+01  0.656563D+01 -0.147025D+01  0.259537D+01 -0.215041D+00
      5   0.749762D+01  0.331098D+02 -0.363327D+00  0.855564D+00  0.598801D+01
      6   0.937090D+01  0.196238D+02  0.616973D+00  0.389317D+00 -0.245684D+00
               121           122           123           124           125 
      1   0.267567D+00 -0.603102D+01 -0.374196D+01 -0.218848D+01 -0.142752D+01
      2  -0.258573D+00  0.182715D+01 -0.203219D+01  0.131530D+01 -0.209221D+01
      3  -0.899384D-02  0.420387D+01  0.577414D+01  0.873185D+00  0.351973D+01
      4   0.212104D+01 -0.167315D+01 -0.178439D+01 -0.281170D+00 -0.241384D+01
      5   0.136709D+01 -0.202353D+01 -0.221525D+01  0.535415D+01 -0.171104D+01
      6  -0.162517D-01  0.117696D+01  0.615660D+01 -0.698135D+00  0.520123D+01
               126           127           128           129           130 
      1  -0.252799D+02 -0.796617D+01  0.181503D+02  0.237150D+01  0.101663D+02
      2  -0.131032D+02  0.101061D+02 -0.251207D+02 -0.324492D+01 -0.130012D+02
      3   0.383831D+02 -0.213997D+01  0.697041D+01  0.873419D+00  0.283490D+01
      4  -0.349229D+01 -0.444811D+01  0.239962D+01 -0.565226D+00  0.509361D+01
      5  -0.117766D+02  0.296145D+00 -0.127044D+01  0.144037D+01 -0.113039D+01
      6  -0.105150D+01  0.148221D+01 -0.283704D+01 -0.215229D+01 -0.133803D+01
               131           132           133           134           135 
      1  -0.357858D+02 -0.386663D+01  0.472683D+01 -0.918719D+01 -0.558669D+01
      2   0.547854D+02  0.557627D+01 -0.466881D+01  0.128426D+02  0.669466D+01
      3  -0.189996D+02 -0.170963D+01 -0.580140D-01 -0.365540D+01 -0.110797D+01
      4   0.101399D+02  0.223543D+00  0.452980D+00  0.205467D+01  0.261317D+01
      5   0.134308D+01  0.252094D+01  0.318032D+01  0.335298D+01  0.841057D+00
      6   0.512781D+01  0.759085D+01  0.266709D+00  0.102562D+02  0.379996D+01
               136           137           138           139           140 
      1   0.115895D+02  0.190118D+01 -0.269508D+01  0.257292D+01 -0.634317D+01
      2  -0.409556D+01  0.238219D+01 -0.375114D+00  0.872033D+00  0.118163D+02
      3  -0.749396D+01 -0.428337D+01  0.307019D+01 -0.344496D+01 -0.547315D+01
      4   0.177480D+02  0.144513D+02 -0.116500D+02  0.110808D+02  0.144015D+02
      5  -0.158703D+02 -0.953065D+01  0.158352D+02 -0.674339D+01 -0.985144D+01
      6  -0.100637D+02 -0.879271D+01  0.106209D+02 -0.742530D+01 -0.111452D+02
               141           142           143           144           145 
      1   0.259081D+01  0.222164D+00  0.575972D+01 -0.545195D+01 -0.739232D+01
      2  -0.473754D+01 -0.274289D+01 -0.784700D+01 -0.118949D+00 -0.372561D+01
      3   0.214673D+01  0.252073D+01  0.208728D+01  0.557090D+01  0.111179D+02
      4  -0.104396D+02 -0.173262D+02 -0.164881D+02  0.157843D+02  0.705600D+01
      5   0.812009D+01  0.186317D+02  0.135819D+02 -0.236137D+02 -0.280986D+01
      6   0.102516D+02  0.143568D+02  0.165226D+02 -0.223326D+02 -0.354087D+01
               146           147           148           149           150 
      1  -0.341626D+01  0.107917D+02  0.410124D+00 -0.203752D+01 -0.520296D+01
      2   0.572683D+01  0.365762D+01  0.382362D+01 -0.584696D+00 -0.153772D+01
      3  -0.231057D+01 -0.144493D+02 -0.423374D+01  0.262221D+01  0.674068D+01
      4  -0.787880D+00 -0.619287D+01 -0.220638D+01  0.320953D+01  0.150911D+01
      5  -0.100960D+01  0.194001D+01 -0.525805D+00 -0.786014D+00  0.230884D+01
      6  -0.225146D+01  0.539874D+01 -0.163364D+01  0.241757D+01  0.983968D+00
               151           152           153           154           155 
      1   0.886400D+01 -0.111427D+01 -0.165522D+02  0.165928D+02 -0.225482D+01
      2   0.388264D+01 -0.179917D+01 -0.839149D+01 -0.825733D+01 -0.269528D+01
      3  -0.127466D+02  0.291344D+01  0.249437D+02 -0.833545D+01  0.495010D+01
      4  -0.734382D+01  0.230989D+01  0.526278D+01 -0.283222D+02  0.219760D+02
      5   0.349153D+01 -0.100312D+01  0.380378D+01  0.253328D+02 -0.145255D+02
      6   0.324385D+01  0.398272D+01 -0.917714D+01 -0.137356D+02  0.133840D+02
               156           157           158           159           160 
      1   0.297768D+01 -0.166648D+01 -0.290247D+01  0.124867D+01  0.377644D+01
      2  -0.373153D+01 -0.222663D+01  0.923732D+01 -0.185000D+01 -0.432080D+01
      3   0.753854D+00  0.389311D+01 -0.633484D+01  0.601331D+00  0.544356D+00
      4  -0.167171D+02  0.165472D+02 -0.178462D+02  0.110008D+02 -0.141161D+02
      5   0.204715D+02 -0.985783D+01  0.100143D+02 -0.845924D+01  0.175934D+02
      6  -0.132420D+02  0.987474D+01 -0.116378D+02  0.101285D+02 -0.108312D+02
               161           162           163           164           165 
      1   0.127938D+01 -0.226046D+01 -0.727344D+01 -0.115509D+02 -0.124258D+00
      2  -0.358197D-01 -0.493795D+01  0.929956D+01  0.170358D+02  0.334163D+01
      3  -0.124356D+01  0.719841D+01 -0.202612D+01 -0.548493D+01 -0.321737D+01
      4   0.110896D+02 -0.133610D+02  0.225570D+01  0.388216D+01 -0.945461D+00
      5  -0.115371D+02  0.194243D+02 -0.804243D+00 -0.427992D+01  0.275318D+00
      6   0.114793D+02 -0.151276D+02 -0.898668D+00  0.103965D+00  0.250281D+01
               166           167           168           169           170 
      1  -0.712376D+01 -0.244879D+02 -0.359405D+01 -0.242126D+01 -0.102540D+02
      2   0.107606D+02  0.409692D+02  0.769838D+01  0.441538D+01  0.162343D+02
      3  -0.363687D+01 -0.164813D+02 -0.410433D+01 -0.199412D+01 -0.598032D+01
      4   0.494606D+01 -0.818918D+01  0.307747D+00  0.392207D+00 -0.357598D+01
      5  -0.404802D+01 -0.515694D+01 -0.383295D+01  0.139108D+00 -0.386528D+01
      6   0.805701D+00 -0.174093D+01  0.616560D+01  0.127249D+01  0.512253D+01
               171           172           173           174           175 
      1  -0.452836D+01  0.181176D+02  0.506702D+01 -0.884257D+01  0.131397D+02
      2   0.633374D+01 -0.128463D+02 -0.541533D+01  0.983457D+01 -0.114349D+02
      3  -0.180538D+01 -0.527129D+01  0.348308D+00 -0.992001D+00 -0.170477D+01
      4  -0.827336D+00  0.342025D+01  0.658499D+01 -0.630701D+01  0.740625D+01
      5  -0.315623D+01 -0.138168D+02 -0.886036D+01  0.137009D+02 -0.156549D+02
      6   0.557264D+01 -0.187684D+01 -0.655345D+00  0.127562D+01 -0.115002D+01
               176           177           178           179           180 
      1   0.413821D+01 -0.875631D+01 -0.916665D+01 -0.611761D+01  0.566842D+01
      2  -0.646029D+01  0.130039D+02  0.124918D+02  0.999387D+01 -0.177688D+02
      3   0.232207D+01 -0.424759D+01 -0.332513D+01 -0.387626D+01  0.121004D+02
      4   0.166663D+02 -0.104305D+02 -0.677971D+01 -0.103610D+02  0.875278D+01
      5  -0.128020D+02  0.186193D+02  0.195079D+02  0.121208D+02 -0.303888D+02
      6  -0.549202D+01  0.441756D+01  0.893446D+00  0.562402D+01 -0.112746D+01
               181           182           183           184           185 
      1  -0.483990D+01 -0.131293D+02 -0.702839D+01 -0.939368D+01 -0.213928D+02
      2   0.396883D+01  0.920778D+01  0.284023D+01  0.416681D+01  0.217405D+02
      3   0.871064D+00  0.392151D+01  0.418816D+01  0.522686D+01 -0.347713D+00
      4  -0.157036D+01 -0.314614D+01 -0.424841D+01  0.657813D+01 -0.245898D+02
      5   0.223029D+01 -0.321996D+01 -0.335093D+01  0.213430D+01 -0.133782D+02
      6   0.250036D+01  0.725533D+01  0.634616D+01  0.175618D+00  0.211656D+02
               186           187           188           189           190 
      1  -0.151314D+02 -0.289270D+01 -0.155076D+02 -0.142832D+02  0.708547D+02
      2   0.952627D+01  0.201460D+01  0.892825D+01  0.292479D+01 -0.275228D+02
      3   0.560514D+01  0.878102D+00  0.657930D+01  0.113584D+02 -0.433320D+02
      4  -0.137197D+02  0.200991D-01 -0.128469D+02 -0.101347D+02 -0.388232D+02
      5  -0.105926D+02  0.379823D+01 -0.101614D+02 -0.156340D+02  0.282271D+01
      6   0.162317D+02  0.589150D+00  0.158194D+02  0.160281D+02 -0.142995D+01
               191           192           193           194           195 
      1  -0.211027D+02  0.105033D+02 -0.196418D+02  0.112658D+02 -0.527053D+01
      2   0.388752D+01 -0.219962D+01  0.210544D+01  0.951411D+00  0.141984D+01
      3   0.172151D+02 -0.830372D+01  0.175364D+02 -0.122173D+02  0.385068D+01
      4   0.222573D+02 -0.725689D+01  0.254926D+02 -0.197930D+02  0.290919D+01
      5  -0.268936D+01  0.106148D+02 -0.222532D+01 -0.286002D-01 -0.318696D+01
      6   0.414021D+00 -0.285769D+01 -0.115700D+00  0.106422D+01  0.371924D+01
               196           197           198           199           200 
      1   0.257943D+02 -0.948983D+01  0.954046D+01 -0.756043D+00 -0.778005D+00
      2  -0.810414D+01  0.182400D+01 -0.360060D+01  0.143828D+01  0.542757D+00
      3  -0.176902D+02  0.766583D+01 -0.593986D+01 -0.682237D+00  0.235248D+00
      4  -0.174565D+02  0.101509D+02 -0.637918D+01  0.379214D+00  0.117895D+01
      5   0.105645D+02 -0.373817D+01  0.961298D+01 -0.648803D+00  0.539802D+00
      6  -0.320650D+01  0.337958D+01 -0.385977D+01  0.130241D+01 -0.594826D-01
               201           202           203           204           205 
      1  -0.108710D+01 -0.174907D+01 -0.156284D+01 -0.417535D+01 -0.494928D+01
      2   0.849678D+00 -0.177155D+01  0.753187D+00  0.237636D+01  0.235433D+01
      3   0.237421D+00  0.352062D+01  0.809658D+00  0.179898D+01  0.259495D+01
      4   0.929454D+00  0.300311D+00 -0.964445D+00 -0.162243D+01  0.124293D+01
      5   0.177925D+01  0.542437D+00 -0.873684D+00 -0.739936D+00  0.145632D+01
      6   0.651121D-01 -0.111449D+01  0.340206D+01  0.352504D+01  0.117675D+01
               206           207           208           209           210 
      1  -0.520753D+01 -0.119973D+02  0.220997D+01  0.222057D+01  0.576650D+01
      2   0.368202D+01  0.148494D+01 -0.363734D+01 -0.127021D+01 -0.234220D+01
      3   0.152552D+01  0.105124D+02  0.142737D+01 -0.950360D+00 -0.342430D+01
      4  -0.123942D+01 -0.241459D+01  0.263471D+01  0.117920D+01  0.146790D+01
      5  -0.160868D+01 -0.433407D+01  0.568834D+01  0.169558D+01  0.447896D+01
      6   0.470147D+01  0.688160D+01  0.186977D+01 -0.204315D+00  0.451203D+00
               211           212           213           214           215 
      1   0.230668D+01 -0.425275D+01 -0.376976D+01  0.226192D+01 -0.405718D+01
      2  -0.379448D+01  0.460566D+00 -0.154417D+01 -0.401630D+01 -0.535669D+00
      3   0.148780D+01  0.379218D+01  0.531393D+01  0.175439D+01  0.459285D+01
      4  -0.207140D+01  0.166544D+01  0.252593D+01  0.342042D+01  0.378427D+01
      5   0.474849D+01  0.327929D+01  0.641653D+01  0.835869D+01  0.533174D+01
      6  -0.126524D+01  0.308200D+01  0.459961D+01  0.231756D+01  0.613549D+01
               216           217           218           219           220 
      1  -0.188347D+02  0.220336D+01  0.987734D+01  0.189473D+00  0.190489D+02
      2  -0.859428D+01  0.562115D+00 -0.620198D+01 -0.226747D+00 -0.558334D+01
      3   0.274290D+02 -0.276548D+01 -0.367536D+01  0.372736D-01 -0.134656D+02
      4   0.412616D+01  0.531557D+01  0.606841D+00 -0.117621D+01  0.203551D+02
      5   0.219234D+02 -0.220390D+01 -0.411256D+00  0.272411D+00  0.847848D+01
      6   0.594590D+01  0.256832D+01 -0.121890D+01 -0.141664D+01  0.454238D+01
               221           222           223           224           225 
      1  -0.972041D+01 -0.356701D+01  0.511870D+01 -0.416432D+01  0.585373D+00
      2   0.217882D+02  0.487887D+01 -0.306391D+01  0.323001D+01 -0.123073D+01
      3  -0.120678D+02 -0.131186D+01 -0.205479D+01  0.934310D+00  0.645355D+00
      4   0.588257D+02  0.217158D+02  0.414128D+01  0.168911D+02  0.125544D+02
      5   0.201892D+02  0.142714D+02  0.127143D+02  0.126651D+02  0.186730D+02
      6   0.174617D+02  0.113705D+02  0.214469D+01  0.102212D+02  0.689838D+01
               226           227           228           229           230 
      1   0.163941D+02 -0.748821D+01  0.757721D+01 -0.185342D+02  0.169496D+01
      2  -0.117648D+02  0.446839D+01 -0.593681D+01  0.118561D+02 -0.203718D+01
      3  -0.462924D+01  0.301982D+01 -0.164041D+01  0.667809D+01  0.342222D+00
      4  -0.843505D+01  0.384000D+01 -0.557762D+01  0.127586D+02 -0.155437D+02
      5   0.968877D+01 -0.640961D+01  0.121092D+02 -0.155799D+02  0.196281D+02
      6  -0.305664D+01  0.591544D+00 -0.958137D+00  0.437538D+01 -0.631061D+01
               231           232           233           234           235 
      1  -0.505199D+01  0.204274D+02 -0.784996D-01  0.936562D+01  0.981401D+02
      2   0.931752D+01 -0.165459D+02  0.532958D+01 -0.216669D+02 -0.466629D+02
      3  -0.426552D+01 -0.388145D+01 -0.525108D+01  0.123012D+02 -0.514773D+02
      4   0.206756D+02 -0.549430D+01  0.186552D+02 -0.169084D+02  0.653231D+01
      5  -0.247203D+02  0.324264D+02 -0.157445D+02  0.555940D+02 -0.200940D+02
      6   0.898960D+01 -0.264511D+01  0.730266D+01 -0.691312D+01 -0.305805D+01
               236           237           238           239           240 
      1   0.216097D+01 -0.238170D+02 -0.415092D+01  0.102833D+02 -0.776582D+00
      2   0.943016D-01  0.104688D+02  0.333555D+01 -0.338781D+01  0.979649D+00
      3  -0.225527D+01  0.133482D+02  0.815374D+00 -0.689546D+01 -0.203066D+00
      4   0.125558D+02 -0.288158D+01  0.150487D+02  0.356658D+01 -0.256242D+01
      5  -0.199862D+01  0.163336D+02 -0.118491D+01 -0.207590D+01 -0.234956D+01
      6   0.377995D-01  0.158801D+01 -0.265325D+00  0.483947D+00  0.218228D+01
               241           242           243 
      1  -0.467624D+02 -0.281951D+01  0.201387D+02
      2   0.221193D+02  0.137071D+01 -0.110578D+02
      3   0.246431D+02  0.144880D+01 -0.908095D+01
      4  -0.524145D+01 -0.674036D+01  0.289301D+00
      5   0.227904D+02 -0.350894D+00 -0.173565D+02
      6   0.234229D+01  0.177193D+01 -0.259817D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:27:56 2021, MaxMem=  5368709120 cpu:           18328.9 elap:            2298.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.44726 -10.53084 -10.46129 -10.45593 -10.44881
 Alpha  occ. eigenvalues --  -10.44328 -10.44150 -10.44022 -10.43508 -10.43160
 Alpha  occ. eigenvalues --  -10.42623  -1.16345  -1.00960  -0.92899  -0.88436
 Alpha  occ. eigenvalues --   -0.87303  -0.82090  -0.80441  -0.74125  -0.71755
 Alpha  occ. eigenvalues --   -0.65880  -0.63765  -0.60082  -0.59572  -0.57879
 Alpha  occ. eigenvalues --   -0.56598  -0.56082  -0.55316  -0.53197  -0.52269
 Alpha  occ. eigenvalues --   -0.50550  -0.50352  -0.49556  -0.47878  -0.47370
 Alpha  occ. eigenvalues --   -0.46509  -0.45365  -0.42158  -0.41160  -0.40079
 Alpha  occ. eigenvalues --   -0.36193  -0.35855
 Alpha virt. eigenvalues --    0.02187   0.04442   0.05658   0.06351   0.06764
 Alpha virt. eigenvalues --    0.08062   0.08719   0.09916   0.10995   0.11300
 Alpha virt. eigenvalues --    0.11851   0.13178   0.13476   0.14009   0.14275
 Alpha virt. eigenvalues --    0.15134   0.16572   0.16713   0.17678   0.18067
 Alpha virt. eigenvalues --    0.18758   0.18882   0.19525   0.20601   0.21309
 Alpha virt. eigenvalues --    0.21708   0.22183   0.23033   0.23746   0.24149
 Alpha virt. eigenvalues --    0.24385   0.24986   0.25953   0.26300   0.26616
 Alpha virt. eigenvalues --    0.28047   0.28527   0.28712   0.29333   0.30142
 Alpha virt. eigenvalues --    0.31044   0.31859   0.32029   0.33141   0.33665
 Alpha virt. eigenvalues --    0.34148   0.34387   0.34813   0.35196   0.35399
 Alpha virt. eigenvalues --    0.35778   0.36475   0.36676   0.37500   0.37860
 Alpha virt. eigenvalues --    0.37978   0.38456   0.38509   0.39174   0.39439
 Alpha virt. eigenvalues --    0.39586   0.40051   0.40141   0.40631   0.41354
 Alpha virt. eigenvalues --    0.41514   0.42387   0.42660   0.43053   0.43507
 Alpha virt. eigenvalues --    0.43921   0.44089   0.44525   0.45140   0.45757
 Alpha virt. eigenvalues --    0.46234   0.46435   0.46848   0.47213   0.47550
 Alpha virt. eigenvalues --    0.48124   0.48286   0.49391   0.49470   0.49907
 Alpha virt. eigenvalues --    0.50524   0.51080   0.51297   0.51659   0.52289
 Alpha virt. eigenvalues --    0.52740   0.53346   0.53602   0.54170   0.54205
 Alpha virt. eigenvalues --    0.55259   0.55741   0.56130   0.56580   0.56748
 Alpha virt. eigenvalues --    0.57619   0.58062   0.58562   0.58631   0.59845
 Alpha virt. eigenvalues --    0.60014   0.60777   0.61357   0.61826   0.62241
 Alpha virt. eigenvalues --    0.62360   0.63533   0.64484   0.65154   0.65378
 Alpha virt. eigenvalues --    0.65853   0.66809   0.67623   0.67780   0.67914
 Alpha virt. eigenvalues --    0.68160   0.68893   0.69906   0.70466   0.71616
 Alpha virt. eigenvalues --    0.72181   0.72482   0.73279   0.74634   0.75036
 Alpha virt. eigenvalues --    0.76096   0.76492   0.77111   0.79233   0.79983
 Alpha virt. eigenvalues --    0.81019   0.82123   0.82761   0.83547   0.84603
 Alpha virt. eigenvalues --    0.85206   0.86581   0.87309   0.88272   0.91823
 Alpha virt. eigenvalues --    0.95202   0.96556   0.98849   0.99978   1.01992
 Alpha virt. eigenvalues --    1.02307   1.02509   1.03298   1.04159   1.04622
 Alpha virt. eigenvalues --    1.05595   1.06414   1.07426   1.07753   1.08209
 Alpha virt. eigenvalues --    1.08526   1.08879   1.11246   1.11726   1.12123
 Alpha virt. eigenvalues --    1.12838   1.13689   1.14696   1.15777   1.16778
 Alpha virt. eigenvalues --    1.18649   1.20104   1.21958   1.23151   1.24155
 Alpha virt. eigenvalues --    1.25588   1.26021   1.28415   1.30616   1.32093
 Alpha virt. eigenvalues --    1.33547   1.34978   1.36312   1.37467   1.38444
 Alpha virt. eigenvalues --    1.39357   1.40804   1.41618   1.42964   1.43575
 Alpha virt. eigenvalues --    1.45649   1.46533   1.49630   1.50803   1.51549
 Alpha virt. eigenvalues --    1.53627   1.54605   1.56435   1.58766   1.60547
 Alpha virt. eigenvalues --    1.62246   1.67109   1.68117   1.69324   1.69776
 Alpha virt. eigenvalues --    1.69870   1.73223   1.75765   1.76178   1.77238
 Alpha virt. eigenvalues --    1.77654   1.79984   1.82167   1.82860   1.84593
 Alpha virt. eigenvalues --    1.85827   1.86827   1.87218   1.89471   1.90079
 Alpha virt. eigenvalues --    1.93295   1.94542   1.95274   1.96081   1.97442
 Alpha virt. eigenvalues --    1.99745   2.00107   2.01357   2.04194   2.06413
 Alpha virt. eigenvalues --    2.06736   2.07510   2.08765   2.09928   2.10320
 Alpha virt. eigenvalues --    2.11730   2.12334   2.13461   2.14266   2.15869
 Alpha virt. eigenvalues --    2.17391   2.18317   2.19461   2.20676   2.21870
 Alpha virt. eigenvalues --    2.22005   2.22807   2.25406   2.27219   2.28935
 Alpha virt. eigenvalues --    2.29469   2.30803   2.31327   2.31829   2.34296
 Alpha virt. eigenvalues --    2.36131   2.37468   2.37743   2.40461   2.43722
 Alpha virt. eigenvalues --    2.45199   2.46471   2.48835   2.49937   2.51065
 Alpha virt. eigenvalues --    2.54736   2.55333   2.57939   2.58543   2.60534
 Alpha virt. eigenvalues --    2.60844   2.62908   2.64047   2.66501   2.66961
 Alpha virt. eigenvalues --    2.71508   2.71694   2.74425   2.74737   2.76979
 Alpha virt. eigenvalues --    2.79056   2.82138   2.83236   2.90115   2.91823
 Alpha virt. eigenvalues --    2.95162   2.97033   3.03337   3.04293   3.06084
 Alpha virt. eigenvalues --    3.06814   3.08426   3.11421   3.13128   3.14178
 Alpha virt. eigenvalues --    3.16519   3.16938   3.20573   3.23052   3.23447
 Alpha virt. eigenvalues --    3.26134   3.27306   3.28761   3.29780   3.30999
 Alpha virt. eigenvalues --    3.37086   3.42916   3.61640   3.88858
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.781918  -1.013678  -0.136389  -0.052988  -0.011530   0.004761
     2  C   -1.013678  11.451268  -0.464983  -0.244672   0.189392   0.004948
     3  C   -0.136389  -0.464983   6.982168  -0.125573  -0.546500   0.155510
     4  C   -0.052988  -0.244672  -0.125573   7.624262  -0.651799   0.019260
     5  C   -0.011530   0.189392  -0.546500  -0.651799   9.816592  -0.816115
     6  C    0.004761   0.004948   0.155510   0.019260  -0.816115   6.194848
     7  O    0.001495  -0.004926   0.017604  -0.122746  -0.099813   0.660792
     8  C   -0.237689  -0.122103   0.012085   0.023362   0.005569  -0.000672
     9  C   -0.069376  -0.464753   0.231656   0.101460  -0.012405   0.000268
    10  C    0.051589   0.468288  -0.213538  -0.145465   0.099638  -0.000245
    11  C    0.000223  -0.000521   0.001224   0.050206  -0.100558   0.465476
    12  H    0.154680  -0.350663   0.008296   0.032505  -0.001051  -0.000210
    13  H   -0.155829   0.181918   0.107472  -0.021823   0.000162   0.000590
    14  H    0.178451  -0.766735  -0.342575  -0.539386  -0.440442   0.036025
    15  H    0.007796  -0.124668  -0.041746  -0.132817   0.013741   0.000778
    16  H   -0.015432   0.139844   0.070459   0.043419   0.004974   0.000240
    17  H    0.488208  -0.142048  -0.111125   0.025655   0.015985   0.000522
    18  H   -0.148825   0.370711   0.012430  -0.005437   0.003153  -0.000012
    19  H    0.010249   0.154890   0.032120  -0.005672  -0.011331  -0.001622
    20  H   -0.024703   0.372650  -0.036438  -0.010271   0.003445  -0.000006
    21  H    0.018690   0.094172  -0.013202   0.010591   0.000670  -0.000178
    22  H    0.040645   0.153920   0.023422   0.004136  -0.000842  -0.000010
    23  H   -0.006276  -0.136779   0.183146  -0.050370  -1.209248   0.015460
    24  H   -0.013952  -0.001001  -0.164979  -0.095773   0.395329  -0.562466
    25  H    0.000102  -0.000115   0.002514  -0.004065  -0.023432   0.088733
    26  H    0.000001   0.000018   0.002354  -0.005876  -0.025879   0.096820
    27  H   -0.000025  -0.000010  -0.000428  -0.002051   0.054881   0.109193
               7          8          9         10         11         12
     1  C    0.001495  -0.237689  -0.069376   0.051589   0.000223   0.154680
     2  C   -0.004926  -0.122103  -0.464753   0.468288  -0.000521  -0.350663
     3  C    0.017604   0.012085   0.231656  -0.213538   0.001224   0.008296
     4  C   -0.122746   0.023362   0.101460  -0.145465   0.050206   0.032505
     5  C   -0.099813   0.005569  -0.012405   0.099638  -0.100558  -0.001051
     6  C    0.660792  -0.000672   0.000268  -0.000245   0.465476  -0.000210
     7  O    7.706266   0.000108   0.000184   0.000903  -0.037673   0.000016
     8  C    0.000108   4.940235  -0.054180  -0.039800  -0.000003  -0.127164
     9  C    0.000184  -0.054180   5.291798  -0.138218   0.000005   0.221794
    10  C    0.000903  -0.039800  -0.138218   5.071438  -0.000166   0.019040
    11  C   -0.037673  -0.000003   0.000005  -0.000166   4.434406   0.000003
    12  H    0.000016  -0.127164   0.221794   0.019040   0.000003   2.094689
    13  H    0.000201   0.073238  -0.017412  -0.044941  -0.000013  -0.642779
    14  H   -0.000400  -0.150919   0.159277  -0.217051   0.001792   0.029368
    15  H    0.001235  -0.010248   0.083515   0.275381   0.000045   0.123911
    16  H   -0.000007   0.027025  -0.076564   0.069187  -0.000023  -0.210284
    17  H   -0.001957   0.000085  -0.051795   0.036138   0.000011   0.017513
    18  H    0.000189   0.018560   0.035057  -0.014270  -0.000015  -0.004246
    19  H    0.000077   0.011131   0.005681  -0.007861   0.000057  -0.000053
    20  H    0.000009   0.316899  -0.069713  -0.005802  -0.000002  -0.049257
    21  H    0.000017   0.030899   0.013559   0.006838   0.000007   0.008499
    22  H   -0.000016  -0.099062   0.007809   0.002333   0.000001   0.043005
    23  H   -0.012283   0.008019  -0.025204  -0.106269   0.005773   0.006466
    24  H    0.052079   0.004197   0.000236   0.000190  -0.089865  -0.000002
    25  H    0.000142  -0.000006   0.000003   0.000010   0.278130   0.000000
    26  H   -0.002487  -0.000001   0.000002   0.000003   0.278378  -0.000000
    27  H   -0.006105  -0.000000   0.000002  -0.000005   0.264979  -0.000000
              13         14         15         16         17         18
     1  C   -0.155829   0.178451   0.007796  -0.015432   0.488208  -0.148825
     2  C    0.181918  -0.766735  -0.124668   0.139844  -0.142048   0.370711
     3  C    0.107472  -0.342575  -0.041746   0.070459  -0.111125   0.012430
     4  C   -0.021823  -0.539386  -0.132817   0.043419   0.025655  -0.005437
     5  C    0.000162  -0.440442   0.013741   0.004974   0.015985   0.003153
     6  C    0.000590   0.036025   0.000778   0.000240   0.000522  -0.000012
     7  O    0.000201  -0.000400   0.001235  -0.000007  -0.001957   0.000189
     8  C    0.073238  -0.150919  -0.010248   0.027025   0.000085   0.018560
     9  C   -0.017412   0.159277   0.083515  -0.076564  -0.051795   0.035057
    10  C   -0.044941  -0.217051   0.275381   0.069187   0.036138  -0.014270
    11  C   -0.000013   0.001792   0.000045  -0.000023   0.000011  -0.000015
    12  H   -0.642779   0.029368   0.123911  -0.210284   0.017513  -0.004246
    13  H    1.568022  -0.039022  -0.195945   0.124049  -0.020329  -0.006866
    14  H   -0.039022   3.663183   0.167608  -0.197686   0.009373  -0.004848
    15  H   -0.195945   0.167608   1.796550  -0.520493   0.002770   0.000573
    16  H    0.124049  -0.197686  -0.520493   1.435767  -0.001689  -0.000177
    17  H   -0.020329   0.009373   0.002770  -0.001689   1.102523  -0.231530
    18  H   -0.006866  -0.004848   0.000573  -0.000177  -0.231530   0.929464
    19  H   -0.000825   0.008098   0.000479  -0.000948  -0.069162  -0.050562
    20  H    0.004845  -0.100192  -0.001612   0.007637  -0.004170   0.003961
    21  H   -0.003503   0.022678   0.001879   0.000008   0.004807  -0.016865
    22  H   -0.006853   0.011899   0.001664  -0.002877   0.011889  -0.014297
    23  H    0.001175   0.133473  -0.005589  -0.002018  -0.044126   0.007592
    24  H    0.000787  -0.181812  -0.004167   0.002483  -0.000656   0.000555
    25  H   -0.000000   0.000323   0.000005  -0.000001  -0.000000  -0.000000
    26  H   -0.000000   0.000527   0.000024  -0.000004   0.000001   0.000000
    27  H    0.000000  -0.000087  -0.000002   0.000000  -0.000004   0.000000
              19         20         21         22         23         24
     1  C    0.010249  -0.024703   0.018690   0.040645  -0.006276  -0.013952
     2  C    0.154890   0.372650   0.094172   0.153920  -0.136779  -0.001001
     3  C    0.032120  -0.036438  -0.013202   0.023422   0.183146  -0.164979
     4  C   -0.005672  -0.010271   0.010591   0.004136  -0.050370  -0.095773
     5  C   -0.011331   0.003445   0.000670  -0.000842  -1.209248   0.395329
     6  C   -0.001622  -0.000006  -0.000178  -0.000010   0.015460  -0.562466
     7  O    0.000077   0.000009   0.000017  -0.000016  -0.012283   0.052079
     8  C    0.011131   0.316899   0.030899  -0.099062   0.008019   0.004197
     9  C    0.005681  -0.069713   0.013559   0.007809  -0.025204   0.000236
    10  C   -0.007861  -0.005802   0.006838   0.002333  -0.106269   0.000190
    11  C    0.000057  -0.000002   0.000007   0.000001   0.005773  -0.089865
    12  H   -0.000053  -0.049257   0.008499   0.043005   0.006466  -0.000002
    13  H   -0.000825   0.004845  -0.003503  -0.006853   0.001175   0.000787
    14  H    0.008098  -0.100192   0.022678   0.011899   0.133473  -0.181812
    15  H    0.000479  -0.001612   0.001879   0.001664  -0.005589  -0.004167
    16  H   -0.000948   0.007637   0.000008  -0.002877  -0.002018   0.002483
    17  H   -0.069162  -0.004170   0.004807   0.011889  -0.044126  -0.000656
    18  H   -0.050562   0.003961  -0.016865  -0.014297   0.007592   0.000555
    19  H    0.768093  -0.004935   0.008604  -0.007038   0.011003   0.001300
    20  H   -0.004935   0.857625  -0.092561  -0.105045   0.000591   0.000426
    21  H    0.008604  -0.092561   0.760525  -0.038692  -0.001803  -0.000240
    22  H   -0.007038  -0.105045  -0.038692   0.861541  -0.000608  -0.000060
    23  H    0.011003   0.000591  -0.001803  -0.000608   2.184613   0.052926
    24  H    0.001300   0.000426  -0.000240  -0.000060   0.052926   1.608280
    25  H    0.000010  -0.000000  -0.000001  -0.000000   0.000251  -0.047499
    26  H    0.000017  -0.000000  -0.000000  -0.000000   0.001192  -0.046352
    27  H    0.000008   0.000000  -0.000000  -0.000000  -0.000327   0.016208
              25         26         27
     1  C    0.000102   0.000001  -0.000025
     2  C   -0.000115   0.000018  -0.000010
     3  C    0.002514   0.002354  -0.000428
     4  C   -0.004065  -0.005876  -0.002051
     5  C   -0.023432  -0.025879   0.054881
     6  C    0.088733   0.096820   0.109193
     7  O    0.000142  -0.002487  -0.006105
     8  C   -0.000006  -0.000001  -0.000000
     9  C    0.000003   0.000002   0.000002
    10  C    0.000010   0.000003  -0.000005
    11  C    0.278130   0.278378   0.264979
    12  H    0.000000  -0.000000  -0.000000
    13  H   -0.000000  -0.000000   0.000000
    14  H    0.000323   0.000527  -0.000087
    15  H    0.000005   0.000024  -0.000002
    16  H   -0.000001  -0.000004   0.000000
    17  H   -0.000000   0.000001  -0.000004
    18  H   -0.000000   0.000000   0.000000
    19  H    0.000010   0.000017   0.000008
    20  H   -0.000000  -0.000000   0.000000
    21  H   -0.000001  -0.000000  -0.000000
    22  H   -0.000000  -0.000000  -0.000000
    23  H    0.000251   0.001192  -0.000327
    24  H   -0.047499  -0.046352   0.016208
    25  H    0.535212   0.044070  -0.016885
    26  H    0.044070   0.536809  -0.018865
    27  H   -0.016885  -0.018865   0.587650
 Mulliken charges:
               1
     1  C    1.147887
     2  C   -3.744361
     3  C    0.355019
     4  C    0.281926
     5  C   -0.652585
     6  C   -0.472686
     7  O   -0.152903
     8  C    1.370437
     9  C    0.827312
    10  C    0.832653
    11  C    0.448125
    12  H   -0.374075
    13  H    0.093682
    14  H   -0.440920
    15  H   -0.440665
    16  H    0.103111
    17  H   -0.036889
    18  H    0.115707
    19  H    0.148192
    20  H   -0.063381
    21  H    0.184604
    22  H    0.113134
    23  H   -0.010781
    24  H    0.073829
    25  H    0.142501
    26  H    0.139251
    27  H    0.011873
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    1.374897
     2  C   -3.744361
     3  C   -0.085901
     4  C    0.271145
     5  C   -0.578756
     6  C   -0.472686
     7  O   -0.152903
     8  C    1.604795
     9  C    0.546920
    10  C    0.495100
    11  C    0.741749
 Electronic spatial extent (au):  <R**2>=           2494.2049
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.7005    Y=             -0.7580    Z=             -2.6992  Tot=              3.2790
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -68.4723   YY=            -69.0770   ZZ=            -71.0632
   XY=              3.3080   XZ=              8.8422   YZ=             -0.3742
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.0652   YY=              0.4605   ZZ=             -1.5257
   XY=              3.3080   XZ=              8.8422   YZ=             -0.3742
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -12.1111  YYY=              0.0667  ZZZ=             -3.5232  XYY=             -3.1672
  XXY=            -10.1831  XXZ=            -27.3322  XZZ=              6.7156  YZZ=             -0.7702
  YYZ=              0.4196  XYZ=              0.9585
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2489.6134 YYYY=           -459.6366 ZZZZ=           -371.2266 XXXY=             30.4588
 XXXZ=             79.6185 YYYX=              1.9108 YYYZ=              5.8302 ZZZX=             10.3124
 ZZZY=              0.3643 XXYY=           -504.2590 XXZZ=           -521.4416 YYZZ=           -138.6312
 XXYZ=            -17.7690 YYXZ=             -1.1540 ZZXY=              5.5654
 N-N= 6.093387863805D+02 E-N=-2.296147024954D+03  KE= 4.595390554238D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:27:57 2021, MaxMem=  5368709120 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 7.01089548D-01-2.70004810D-01-9.90123062D-01
 Polarizability= 1.61281272D+02 5.03064875D+00 1.04214168D+02
                 3.11105867D+00 3.14748124D+00 1.08318591D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.4925   -1.4893        2.5192    2.5188
 2      1.4925    1.4893       -1.4786   -1.4770      -30.0625  -30.0613
 3     -2.5192   -2.5188       28.1475   28.1458        1.4770    1.4770
 4      1.4786    1.4770       -0.0000    0.0000       -2.5134   -2.5188
 5      1.9150    1.9155        2.5134    2.5188       -1.4894   -1.4893
 6     -1.4770   -1.4770        1.4894    1.4893       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        4.4680    4.4680        7.5563    7.5563
 2      4.4311    4.4311       -0.0000    0.0000        7.5563    7.5563
 3      4.4311    4.4311        4.4680    4.4680       -0.0000    0.0000
 4      4.4680    4.4680       -4.4311   -4.4311      -90.1839  -90.1839
 5     -7.5563   -7.5563       84.4374   84.4374        4.4311    4.4311
 6      5.7465    5.7465        7.5563    7.5563       -4.4680   -4.4680
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.6189    0.0000        6.1461    5.9573      -10.0506  -10.0751
 2     -6.2371   -5.9573        6.1856    5.9082      119.6272  120.2452
 3      9.8940   10.0751     -112.8015 -112.5831       -5.6693   -5.9082
 4     -5.8878   -5.9082        0.4072    0.0000       10.0733   10.0751
 5     -7.5844   -7.6620      -10.4006  -10.0751        5.3798    5.9573
 6      5.7430    5.9082       -5.4770   -5.9573        0.1978    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.3623    0.0000       28.2046   28.0109      -22.6698  -22.4214
 2    -27.1108  -28.0109      -34.5542  -34.4940        4.3628    3.2078
 3     23.8590   22.4214       40.6928   40.8476       34.8196   34.4940
 4     34.6538   34.4940       -0.3883    0.0000       22.8186   22.4214
 5    -43.3938  -44.0554      -23.6884  -22.4214       28.2499   28.0109
 6    -34.4352  -34.4940      -28.0061  -28.0109       -0.2809    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     57.5970   56.6197       26.0484   25.6727      -12.1554  -11.7346
 2     87.2006   86.2347       46.1568   46.7658      -12.0526  -11.7346
 3     87.4989   86.2347       25.1548   25.6727      -10.5957  -10.4384
 4    -20.3172  -21.0931      -29.3785  -29.6150       23.6950   23.2987
 5      2.4238    1.2962       34.1623   33.7655       28.9923   29.6150
 6    -56.4472  -57.0642       -4.1129   -1.2962       21.9072   21.0931
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.0699    0.0006    0.0006    0.0008    6.4673   13.2568
 Low frequencies ---   36.6930   64.8476   73.6485
 Diagonal vibrational polarizability:
       20.6008396      63.2096190       8.5645609
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     36.6879                64.8091                73.6407
 Red. masses --      3.3641                 3.4367                 3.4989
 Frc consts  --      0.0027                 0.0085                 0.0112
 IR Inten    --      3.0385                 1.0106                 1.0091
 RamAct Fr= 1--      1.5941                 0.6997                 0.4880
  Dep-P Fr= 1--      0.7293                 0.7440                 0.5518
  Dep-U Fr= 1--      0.8435                 0.8532                 0.7112
 Alpha2 Fr= 1--      0.0006                 0.0001                 0.0018
 Beta2  Fr= 1--      0.2241                 0.0995                 0.0578
 AlphaG Fr= 1--     -0.0034                 0.0013                 0.0136
 Gamma2 Fr= 1--     -0.1228                 0.0640                 0.4856
 Delta2 Fr= 1--      0.0380                 0.0244                 0.1288
 Raman1 Fr= 1--       6.376                  2.799                  1.952
 ROA1   Fr= 1--     -10.569                  6.925                 50.741
 CID1   Fr= 1--      -1.658                  2.474                 25.993
 Raman2 Fr= 1--       2.689                  1.194                  0.694
 ROA2   Fr= 1--      -3.250                  1.341                 10.624
 CID2   Fr= 1--      -1.209                  1.123                 15.305
 Raman3 Fr= 1--       5.378                  2.388                  1.388
 ROA3   Fr= 1--     -10.569                  6.925                 50.741
 CID3   Fr= 1--      -1.965                  2.900                 36.548
 RC180  Fr= 1--       0.687                  0.706                  0.422
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12   0.04   0.09     0.10  -0.13  -0.09    -0.20  -0.00  -0.06
     2   6     0.04   0.01   0.02     0.04  -0.02  -0.00    -0.07   0.01   0.01
     3   6    -0.01  -0.09  -0.00    -0.00  -0.11  -0.03     0.03   0.03  -0.11
     4   6    -0.01  -0.11   0.01     0.00  -0.12  -0.02     0.02   0.07  -0.13
     5   6    -0.02  -0.03  -0.00    -0.03  -0.05  -0.01     0.01  -0.01  -0.07
     6   6    -0.02  -0.00  -0.00    -0.02   0.07   0.01     0.07  -0.04   0.03
     7   8     0.02  -0.18   0.06     0.00   0.20  -0.03     0.17  -0.12   0.06
     8   6     0.06   0.01   0.04     0.17   0.14   0.03     0.06   0.01   0.13
     9   6    -0.02   0.07  -0.05    -0.14   0.01   0.07    -0.14   0.01   0.07
    10   6    -0.08  -0.03  -0.08    -0.09  -0.05  -0.01     0.05   0.00  -0.08
    11   6    -0.08   0.28  -0.08    -0.04   0.01   0.07    -0.01   0.04   0.10
    12   1    -0.02   0.13  -0.08    -0.16   0.09   0.21    -0.14  -0.02   0.25
    13   1    -0.01   0.10  -0.05    -0.28  -0.04   0.03    -0.31   0.03  -0.00
    14   1    -0.02  -0.14   0.01     0.00  -0.12  -0.03     0.07  -0.00  -0.11
    15   1    -0.12  -0.04  -0.11    -0.15  -0.06  -0.09     0.06   0.06  -0.21
    16   1    -0.11  -0.04  -0.11    -0.03  -0.06   0.03     0.19  -0.09  -0.01
    17   1     0.11   0.03   0.08     0.00  -0.25  -0.12    -0.28  -0.01  -0.14
    18   1     0.15   0.11   0.10     0.12  -0.05  -0.05    -0.27  -0.02   0.03
    19   1     0.15  -0.02   0.14     0.24  -0.16  -0.17    -0.14   0.02  -0.14
    20   1     0.00  -0.01  -0.01     0.12   0.22   0.09     0.15   0.01   0.18
    21   1     0.09  -0.04   0.09     0.30   0.12  -0.04     0.13   0.02   0.07
    22   1     0.09   0.09   0.04     0.18   0.22   0.07    -0.01   0.01   0.24
    23   1     0.01  -0.17   0.03     0.02  -0.12  -0.01     0.02   0.13  -0.15
    24   1    -0.05   0.05  -0.03    -0.06  -0.05  -0.01    -0.03  -0.06  -0.05
    25   1    -0.20   0.33  -0.27    -0.09  -0.04   0.21    -0.04   0.08  -0.01
    26   1    -0.01   0.46   0.03    -0.02  -0.10  -0.01    -0.09   0.13   0.18
    27   1    -0.07   0.27  -0.07    -0.04   0.14   0.08     0.05  -0.02   0.19
                      4                      5                      6
                      A                      A                      A
 Frequencies --    115.7161               140.6741               151.7900
 Red. masses --      1.0817                 2.6931                 3.1542
 Frc consts  --      0.0085                 0.0314                 0.0428
 IR Inten    --      0.0006                 0.3762                 1.5852
 RamAct Fr= 1--      0.4028                 1.3445                 0.5868
  Dep-P Fr= 1--      0.6997                 0.7454                 0.5647
  Dep-U Fr= 1--      0.8233                 0.8542                 0.7218
 Alpha2 Fr= 1--      0.0004                 0.0001                 0.0021
 Beta2  Fr= 1--      0.0553                 0.1914                 0.0706
 AlphaG Fr= 1--     -0.0015                -0.0012                -0.0077
 Gamma2 Fr= 1--     -0.0648                 0.1938                -0.1941
 Delta2 Fr= 1--      0.0328                 0.2292                -0.0528
 Raman1 Fr= 1--       1.611                  5.378                  2.347
 ROA1   Fr= 1--      -5.170                 25.939                -20.323
 CID1   Fr= 1--      -3.209                  4.823                 -8.658
 Raman2 Fr= 1--       0.663                  2.297                  0.847
 ROA2   Fr= 1--      -1.817                  2.817                 -4.235
 CID2   Fr= 1--      -2.739                  1.227                 -5.000
 Raman3 Fr= 1--       1.327                  4.594                  1.694
 ROA3   Fr= 1--      -5.170                 25.939                -20.323
 CID3   Fr= 1--      -3.897                  5.647                -11.996
 RC180  Fr= 1--       0.647                  0.708                  0.444
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.01     0.03   0.02   0.06     0.03  -0.06  -0.02
     2   6    -0.00   0.01  -0.00     0.01  -0.01   0.01    -0.01  -0.02   0.01
     3   6     0.00   0.02  -0.00     0.00  -0.03  -0.00    -0.01  -0.04  -0.01
     4   6     0.00   0.01  -0.00    -0.01  -0.07  -0.06     0.03   0.08   0.10
     5   6     0.01  -0.04   0.01    -0.07   0.25  -0.17    -0.01   0.22   0.08
     6   6     0.00  -0.01   0.00    -0.00   0.07  -0.05    -0.03   0.05   0.04
     7   8     0.01  -0.04   0.01     0.09  -0.05  -0.00    -0.14  -0.08   0.07
     8   6    -0.01   0.00  -0.01     0.01  -0.05   0.03     0.04   0.03   0.02
     9   6     0.00   0.00   0.00     0.02  -0.00  -0.01    -0.06   0.00  -0.01
    10   6     0.01   0.01   0.00    -0.06  -0.00   0.06     0.09  -0.06  -0.17
    11   6    -0.00   0.04  -0.01    -0.04  -0.07   0.08     0.08  -0.06  -0.08
    12   1     0.00  -0.00   0.00     0.02   0.02  -0.08    -0.06  -0.02   0.16
    13   1     0.00  -0.00   0.00     0.09  -0.02   0.03    -0.23   0.08  -0.08
    14   1    -0.00   0.02  -0.00     0.06   0.01  -0.02    -0.12  -0.13   0.02
    15   1     0.01   0.01   0.01    -0.11  -0.06   0.13     0.18   0.07  -0.36
    16   1     0.01   0.01   0.01    -0.11   0.10   0.06     0.19  -0.30  -0.19
    17   1    -0.01   0.01  -0.01     0.05   0.04   0.07    -0.02  -0.12  -0.03
    18   1    -0.02  -0.01  -0.01     0.05   0.05   0.06     0.04  -0.03  -0.01
    19   1    -0.02   0.01  -0.02     0.03  -0.01   0.10     0.09  -0.08  -0.05
    20   1    -0.00   0.01  -0.00    -0.00  -0.07  -0.00     0.02   0.05   0.03
    21   1    -0.01   0.01  -0.01     0.01  -0.07   0.06     0.09   0.01   0.01
    22   1    -0.01  -0.01  -0.01     0.01  -0.02   0.04     0.05   0.08   0.04
    23   1    -0.01   0.05  -0.01     0.01  -0.38   0.04     0.12  -0.01   0.13
    24   1     0.02  -0.07   0.02    -0.14   0.53  -0.25    -0.01   0.33   0.05
    25   1    -0.23  -0.18   0.49    -0.04  -0.16   0.31     0.20  -0.09   0.03
    26   1     0.33  -0.34  -0.33    -0.08  -0.28  -0.06     0.15  -0.15  -0.15
    27   1    -0.09   0.54  -0.17    -0.01   0.04   0.12     0.00  -0.09  -0.19
                      7                      8                      9
                      A                      A                      A
 Frequencies --    218.2932               244.6938               261.5399
 Red. masses --      1.2307                 1.9476                 2.7532
 Frc consts  --      0.0346                 0.0687                 0.1110
 IR Inten    --      0.1584                 0.6104                 0.2316
 RamAct Fr= 1--      0.3237                 0.4390                 4.9730
  Dep-P Fr= 1--      0.2149                 0.4934                 0.2283
  Dep-U Fr= 1--      0.3538                 0.6608                 0.3717
 Alpha2 Fr= 1--      0.0042                 0.0022                 0.0626
 Beta2  Fr= 1--      0.0191                 0.0483                 0.3081
 AlphaG Fr= 1--     -0.0054                 0.0002                -0.0118
 Gamma2 Fr= 1--      0.3512                 0.2479                 0.0413
 Delta2 Fr= 1--     -0.0722                 0.1646                 0.0073
 Raman1 Fr= 1--       1.295                  1.756                 19.892
 ROA1   Fr= 1--      31.407                 29.069                  4.204
 CID1   Fr= 1--      24.257                 16.555                  0.211
 Raman2 Fr= 1--       0.229                  0.580                  3.697
 ROA2   Fr= 1--       9.006                  4.633                  0.934
 CID2   Fr= 1--      39.317                  7.986                  0.253
 Raman3 Fr= 1--       0.458                  1.160                  7.395
 ROA3   Fr= 1--      31.407                 29.069                  4.204
 CID3   Fr= 1--      68.553                 25.053                  0.569
 RC180  Fr= 1--      -0.292                  0.322                 -0.257
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.01   0.05    -0.08   0.04  -0.07    -0.06   0.02   0.01
     2   6    -0.02  -0.01   0.01     0.03   0.00  -0.06    -0.04   0.01  -0.00
     3   6    -0.01   0.02   0.00     0.02   0.01  -0.04    -0.03  -0.05  -0.00
     4   6    -0.02   0.05  -0.02     0.02  -0.04   0.00     0.06  -0.11   0.08
     5   6    -0.00  -0.00  -0.02    -0.02   0.01   0.05     0.07   0.01   0.03
     6   6    -0.00  -0.00  -0.01    -0.03   0.01   0.05     0.10   0.02   0.02
     7   8     0.02  -0.01  -0.01    -0.09   0.00   0.04     0.10   0.04   0.02
     8   6    -0.05   0.01  -0.04     0.13  -0.07   0.07    -0.11  -0.03  -0.04
     9   6    -0.01  -0.03   0.02     0.06   0.00  -0.07    -0.12   0.05  -0.00
    10   6     0.04  -0.01   0.01    -0.06   0.03   0.04    -0.15   0.01  -0.02
    11   6    -0.02   0.00   0.01     0.01  -0.00  -0.02     0.19   0.01  -0.07
    12   1    -0.01  -0.05   0.08     0.06   0.01  -0.22    -0.13   0.12   0.02
    13   1    -0.06  -0.03   0.01     0.21  -0.03  -0.01    -0.15   0.02  -0.01
    14   1     0.00   0.02   0.00     0.01   0.07  -0.06    -0.08  -0.06   0.00
    15   1     0.06   0.02  -0.02    -0.12  -0.06   0.17    -0.23  -0.04  -0.02
    16   1     0.06  -0.04   0.01    -0.13   0.19   0.05    -0.16   0.06  -0.00
    17   1    -0.28  -0.13  -0.22    -0.36   0.01  -0.33    -0.09   0.01  -0.03
    18   1     0.08   0.41   0.37    -0.18   0.23   0.23    -0.07   0.05   0.05
    19   1     0.53  -0.29   0.06     0.20  -0.09  -0.14    -0.02  -0.01   0.00
    20   1     0.04   0.05   0.06     0.33  -0.09   0.15     0.09   0.03   0.11
    21   1    -0.14   0.13  -0.15     0.17  -0.03  -0.02    -0.29   0.20  -0.22
    22   1    -0.11  -0.16  -0.08    -0.00  -0.16   0.23    -0.22  -0.34  -0.10
    23   1    -0.04   0.10  -0.04     0.08  -0.06   0.01     0.10  -0.23   0.12
    24   1     0.01  -0.05  -0.00    -0.06   0.04   0.04     0.07   0.13  -0.00
    25   1    -0.03  -0.00   0.01     0.05   0.00  -0.02     0.27   0.03  -0.08
    26   1    -0.03  -0.00   0.01     0.05   0.00  -0.02     0.28   0.03  -0.07
    27   1    -0.00   0.01   0.03    -0.02  -0.02  -0.06     0.11  -0.03  -0.18
                     10                     11                     12
                      A                      A                      A
 Frequencies --    272.7936               333.8646               358.9876
 Red. masses --      1.1290                 2.3561                 2.3208
 Frc consts  --      0.0495                 0.1547                 0.1762
 IR Inten    --      0.0620                 2.0228                 0.6498
 RamAct Fr= 1--      0.4450                 0.8359                 1.5924
  Dep-P Fr= 1--      0.2457                 0.2248                 0.6229
  Dep-U Fr= 1--      0.3945                 0.3671                 0.7677
 Alpha2 Fr= 1--      0.0053                 0.0106                 0.0037
 Beta2  Fr= 1--      0.0293                 0.0511                 0.2037
 AlphaG Fr= 1--      0.0007                -0.0018                 0.0162
 Gamma2 Fr= 1--      0.0140                -0.9180                -0.5031
 Delta2 Fr= 1--     -0.0171                -0.1700                -0.3399
 Raman1 Fr= 1--       1.780                  3.343                  6.370
 ROA1   Fr= 1--       0.795                -93.566                -59.177
 CID1   Fr= 1--       0.447                -27.985                 -9.290
 Raman2 Fr= 1--       0.351                  0.614                  2.445
 ROA2   Fr= 1--       0.472                -20.672                 -9.355
 CID2   Fr= 1--       1.344                -33.686                 -3.827
 Raman3 Fr= 1--       0.702                  1.227                  4.890
 ROA3   Fr= 1--       0.795                -93.566                -59.177
 CID3   Fr= 1--       1.132                -76.235                -12.102
 RC180  Fr= 1--      -0.211                 -0.266                  0.535
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.01     0.13   0.04   0.03     0.09  -0.16  -0.05
     2   6    -0.02  -0.01  -0.02     0.02  -0.01  -0.08    -0.04  -0.00   0.05
     3   6    -0.01   0.01  -0.01     0.03   0.04  -0.11    -0.05   0.00   0.04
     4   6     0.01   0.01   0.01     0.02   0.06  -0.11    -0.06   0.16  -0.01
     5   6     0.01   0.00   0.01    -0.03   0.00   0.01    -0.00   0.02  -0.01
     6   6     0.03   0.01   0.01    -0.02   0.01   0.06     0.02   0.02  -0.02
     7   8     0.03   0.01   0.01    -0.07   0.00   0.06     0.07  -0.02   0.00
     8   6    -0.02  -0.02  -0.01     0.03  -0.13  -0.01    -0.01  -0.05   0.11
     9   6    -0.03  -0.02  -0.00    -0.12  -0.03   0.06     0.02   0.05  -0.07
    10   6    -0.03   0.01   0.02    -0.03   0.04   0.06    -0.10   0.02  -0.01
    11   6     0.05   0.00  -0.02     0.04   0.00  -0.02     0.03  -0.00  -0.02
    12   1    -0.03  -0.01  -0.00    -0.14   0.05   0.27     0.03   0.03  -0.27
    13   1    -0.02  -0.05   0.01    -0.30  -0.20   0.02     0.20   0.13  -0.02
    14   1    -0.03   0.03  -0.01     0.08   0.12  -0.14    -0.05  -0.06   0.05
    15   1    -0.06  -0.02   0.05    -0.10  -0.01   0.08    -0.16  -0.06   0.09
    16   1    -0.03   0.05   0.04     0.05   0.13   0.16    -0.20   0.14  -0.04
    17   1    -0.14  -0.04  -0.11     0.36   0.12   0.20     0.10  -0.37   0.08
    18   1    -0.02   0.14   0.12     0.26   0.03  -0.17     0.17  -0.19  -0.21
    19   1     0.15  -0.10  -0.01    -0.04   0.03   0.21     0.13  -0.10  -0.17
    20   1    -0.41  -0.15  -0.34     0.16  -0.22  -0.04     0.12  -0.09   0.14
    21   1     0.14  -0.38   0.36    -0.04  -0.11   0.01    -0.01  -0.03   0.09
    22   1     0.21   0.46  -0.03    -0.05  -0.22   0.06    -0.10  -0.11   0.21
    23   1     0.01   0.03   0.00     0.08   0.14  -0.13    -0.12   0.37  -0.08
    24   1     0.02  -0.01   0.01    -0.10  -0.08   0.04     0.06  -0.17   0.05
    25   1     0.08   0.01  -0.02     0.09   0.01  -0.02     0.08  -0.00  -0.00
    26   1     0.08   0.01  -0.02     0.09   0.01  -0.02     0.03  -0.02  -0.03
    27   1     0.03  -0.01  -0.05    -0.02  -0.03  -0.09     0.02  -0.03  -0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    363.0272               415.0673               440.3594
 Red. masses --      2.2433                 2.9342                 2.2953
 Frc consts  --      0.1742                 0.2978                 0.2622
 IR Inten    --      0.3907                 2.8074                 0.5366
 RamAct Fr= 1--      0.7116                 1.5991                 0.3883
  Dep-P Fr= 1--      0.5262                 0.1166                 0.7333
  Dep-U Fr= 1--      0.6896                 0.2089                 0.8461
 Alpha2 Fr= 1--      0.0031                 0.0269                 0.0001
 Beta2  Fr= 1--      0.0818                 0.0557                 0.0548
 AlphaG Fr= 1--      0.0064                -0.0213                 0.0062
 Gamma2 Fr= 1--      0.2655                 0.5348                 0.4342
 Delta2 Fr= 1--      0.0699                 0.1022                 0.0995
 Raman1 Fr= 1--       2.846                  6.396                  1.553
 ROA1   Fr= 1--      27.721                 54.608                 44.862
 CID1   Fr= 1--       9.739                  8.537                 28.881
 Raman2 Fr= 1--       0.981                  0.668                  0.657
 ROA2   Fr= 1--       5.811                 12.017                  9.624
 CID2   Fr= 1--       5.922                 17.985                 14.645
 Raman3 Fr= 1--       1.963                  1.336                  1.314
 ROA3   Fr= 1--      27.721                 54.608                 44.862
 CID3   Fr= 1--      14.124                 40.863                 34.133
 RC180  Fr= 1--       0.379                 -0.582                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.02   0.12     0.02   0.07   0.02    -0.05   0.02   0.00
     2   6    -0.05  -0.08  -0.00    -0.05  -0.05  -0.14     0.12  -0.03   0.03
     3   6    -0.02  -0.07  -0.04    -0.11   0.05   0.04     0.08  -0.12   0.03
     4   6    -0.03   0.07  -0.09    -0.04   0.08   0.20     0.06   0.12   0.02
     5   6    -0.04   0.01  -0.01     0.06   0.03   0.05     0.07   0.06   0.03
     6   6     0.00   0.04   0.04     0.03  -0.03  -0.09     0.01   0.06  -0.06
     7   8     0.02  -0.00   0.06     0.09  -0.01  -0.09    -0.04  -0.06  -0.03
     8   6     0.05   0.15  -0.03     0.12  -0.03  -0.01     0.03  -0.03  -0.10
     9   6     0.03  -0.11  -0.04    -0.08  -0.11  -0.06    -0.03   0.05   0.04
    10   6    -0.04  -0.08   0.03    -0.04  -0.01   0.00    -0.10  -0.04   0.01
    11   6     0.08  -0.00  -0.04    -0.05  -0.00   0.01    -0.05  -0.00   0.04
    12   1     0.04  -0.18  -0.20    -0.08  -0.11   0.04    -0.05   0.22   0.10
    13   1     0.18  -0.08   0.01    -0.15  -0.21  -0.07    -0.10  -0.02   0.02
    14   1     0.02  -0.08  -0.04    -0.31   0.14   0.04     0.06  -0.20   0.05
    15   1    -0.09  -0.17   0.15     0.06   0.05   0.02    -0.27  -0.16   0.02
    16   1    -0.09   0.07   0.05    -0.03  -0.09  -0.02    -0.12   0.10   0.05
    17   1     0.05   0.19   0.12     0.14   0.24   0.05    -0.12   0.13  -0.12
    18   1    -0.04   0.03   0.11     0.08   0.16  -0.01    -0.19  -0.10   0.14
    19   1    -0.17  -0.01   0.27    -0.08  -0.02   0.25    -0.09   0.09  -0.06
    20   1    -0.02   0.35   0.15     0.26  -0.01   0.08    -0.07  -0.02  -0.13
    21   1     0.22   0.20  -0.23     0.31  -0.06  -0.11    -0.10   0.01  -0.06
    22   1     0.08   0.20  -0.05     0.01   0.02   0.21     0.10  -0.09  -0.27
    23   1    -0.03   0.23  -0.14    -0.07   0.08   0.19     0.06   0.41  -0.07
    24   1    -0.08  -0.14   0.03     0.26   0.05   0.04     0.17  -0.20   0.11
    25   1     0.19   0.01  -0.03    -0.16  -0.02   0.02    -0.07  -0.03   0.10
    26   1     0.15  -0.01  -0.05    -0.15  -0.01   0.02    -0.24  -0.07   0.02
    27   1     0.00  -0.07  -0.14     0.04   0.06   0.14     0.06  -0.01   0.20
                     16                     17                     18
                      A                      A                      A
 Frequencies --    487.0436               588.0546               618.5416
 Red. masses --      2.7530                 2.5204                 3.7164
 Frc consts  --      0.3848                 0.5135                 0.8378
 IR Inten    --      8.7908                 2.6738                17.6514
 RamAct Fr= 1--      1.3383                 2.4598                 8.4289
  Dep-P Fr= 1--      0.4406                 0.0361                 0.1299
  Dep-U Fr= 1--      0.6117                 0.0697                 0.2299
 Alpha2 Fr= 1--      0.0085                 0.0502                 0.1371
 Beta2  Fr= 1--      0.1364                 0.0286                 0.3230
 AlphaG Fr= 1--     -0.0152                -0.1463                 0.0800
 Gamma2 Fr= 1--     -0.4262                -0.1060                 0.5539
 Delta2 Fr= 1--     -0.2350                -0.2713                -0.4338
 Raman1 Fr= 1--       5.353                  9.839                 33.716
 ROA1   Fr= 1--     -48.434                -18.860                 39.296
 CID1   Fr= 1--      -9.048                 -1.917                  1.166
 Raman2 Fr= 1--       1.637                  0.343                  3.876
 ROA2   Fr= 1--      -8.349                 -0.375                 16.765
 CID2   Fr= 1--      -5.100                 -1.093                  4.325
 Raman3 Fr= 1--       3.274                  0.685                  7.753
 ROA3   Fr= 1--     -48.434                -18.860                 39.296
 CID3   Fr= 1--     -14.792                -27.513                  5.069
 RC180  Fr= 1--       0.223                 -0.861                 -0.540
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.08   0.06     0.02   0.06  -0.05    -0.03  -0.07   0.06
     2   6    -0.12  -0.02   0.01    -0.06   0.05  -0.03     0.00  -0.03   0.02
     3   6     0.07   0.03  -0.13    -0.01  -0.01  -0.02     0.08   0.03  -0.09
     4   6     0.17  -0.00  -0.00     0.03  -0.10   0.02     0.08  -0.01   0.04
     5   6     0.13   0.03   0.06     0.03  -0.10   0.02    -0.02   0.00   0.16
     6   6     0.07  -0.06  -0.03    -0.02   0.27  -0.09    -0.15   0.05   0.01
     7   8    -0.12  -0.01  -0.06    -0.02  -0.09   0.02     0.20   0.03   0.05
     8   6    -0.08   0.06   0.06    -0.06   0.03   0.05     0.00  -0.00  -0.01
     9   6    -0.03  -0.04  -0.05     0.01  -0.04   0.01    -0.01   0.02  -0.02
    10   6    -0.02   0.05  -0.02     0.02  -0.01   0.01     0.04   0.09  -0.02
    11   6    -0.03   0.02   0.07     0.02   0.04   0.01    -0.23  -0.08  -0.18
    12   1    -0.01  -0.17  -0.18     0.02  -0.12  -0.04    -0.01  -0.01   0.04
    13   1     0.11   0.06  -0.01     0.06  -0.04   0.03    -0.06   0.07  -0.04
    14   1     0.06   0.02  -0.13    -0.01   0.01  -0.02     0.08   0.02  -0.09
    15   1    -0.15  -0.10   0.12     0.06   0.03  -0.01    -0.07  -0.04   0.11
    16   1    -0.04   0.30   0.06     0.05  -0.06   0.01     0.02   0.29   0.05
    17   1     0.06  -0.17   0.17     0.06  -0.00   0.01    -0.03  -0.08   0.07
    18   1     0.12   0.03  -0.06     0.10   0.12  -0.13    -0.03  -0.07   0.06
    19   1     0.03  -0.15   0.13     0.05   0.02  -0.02    -0.03  -0.08   0.07
    20   1    -0.12   0.14   0.12     0.00  -0.01   0.04    -0.07   0.05   0.01
    21   1     0.01   0.07  -0.01    -0.03   0.00   0.07    -0.01   0.03  -0.04
    22   1    -0.06   0.11   0.07    -0.10   0.04   0.14     0.05  -0.00  -0.10
    23   1     0.34  -0.14   0.05     0.01   0.05  -0.03     0.29  -0.01   0.05
    24   1     0.14   0.17   0.01     0.05  -0.25   0.07     0.03   0.04   0.14
    25   1    -0.27  -0.01   0.05     0.45  -0.01   0.30     0.04  -0.07  -0.10
    26   1    -0.14   0.05   0.11    -0.40  -0.29  -0.15    -0.20  -0.16  -0.23
    27   1     0.12   0.17   0.27     0.10  -0.27   0.15    -0.36  -0.27  -0.35
                     19                     20                     21
                      A                      A                      A
 Frequencies --    627.5373               730.1388               825.8333
 Red. masses --      3.2376                 1.4761                 2.4707
 Frc consts  --      0.7512                 0.4636                 0.9928
 IR Inten    --      0.2565                 6.0466                 3.2789
 RamAct Fr= 1--      5.4896                 6.9504                25.3118
  Dep-P Fr= 1--      0.1644                 0.1007                 0.4533
  Dep-U Fr= 1--      0.2824                 0.1830                 0.6238
 Alpha2 Fr= 1--      0.0818                 0.1215                 0.1531
 Beta2  Fr= 1--      0.2583                 0.2120                 2.6315
 AlphaG Fr= 1--      0.1502                 0.1524                 0.2065
 Gamma2 Fr= 1--     -0.4264                 0.4881                -2.8671
 Delta2 Fr= 1--      0.9147                 0.7120                -0.2582
 Raman1 Fr= 1--      21.958                 27.801                101.247
 ROA1   Fr= 1--     -11.663                 69.646               -283.500
 CID1   Fr= 1--      -0.531                  2.505                 -2.800
 Raman2 Fr= 1--       3.100                  2.544                 31.578
 ROA2   Fr= 1--     -17.551                  6.019                -66.744
 CID2   Fr= 1--      -5.661                  2.366                 -2.114
 Raman3 Fr= 1--       6.200                  5.089                 63.155
 ROA3   Fr= 1--     -11.663                 69.646               -283.500
 CID3   Fr= 1--      -1.881                 13.687                 -4.489
 RC180  Fr= 1--      -0.435                 -0.634                  0.248
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.18  -0.15     0.02   0.05  -0.04    -0.03  -0.01  -0.03
     2   6    -0.03   0.11  -0.02     0.01   0.01   0.01    -0.11  -0.02  -0.08
     3   6    -0.00  -0.13  -0.07     0.04  -0.06   0.07     0.13  -0.07   0.16
     4   6     0.04   0.04   0.00    -0.02  -0.01   0.01     0.07  -0.07  -0.01
     5   6    -0.00   0.08   0.06    -0.01   0.01  -0.03     0.07   0.08  -0.12
     6   6    -0.01  -0.09   0.02    -0.00  -0.01   0.01    -0.00   0.00   0.05
     7   8     0.06   0.03  -0.01    -0.01   0.00   0.01    -0.02   0.01   0.06
     8   6    -0.10   0.06   0.10    -0.04   0.02   0.05    -0.02  -0.01  -0.04
     9   6     0.04  -0.07   0.09     0.01  -0.08  -0.08    -0.03   0.03   0.00
    10   6    -0.02  -0.18   0.04     0.06   0.06  -0.05    -0.02   0.11   0.01
    11   6    -0.07  -0.04  -0.05     0.01  -0.00   0.01    -0.06  -0.04  -0.01
    12   1     0.05  -0.12  -0.14     0.01  -0.18   0.40    -0.02  -0.01  -0.16
    13   1     0.23  -0.09   0.17    -0.41  -0.03  -0.25     0.13  -0.04   0.07
    14   1     0.01  -0.21  -0.05     0.04  -0.19   0.10     0.14  -0.10   0.16
    15   1    -0.11  -0.20  -0.06    -0.03  -0.19   0.37     0.01   0.23  -0.23
    16   1     0.07  -0.16   0.12    -0.22   0.43  -0.11     0.08  -0.16  -0.03
    17   1     0.09   0.10  -0.09    -0.00   0.04  -0.06     0.08   0.02   0.06
    18   1     0.14   0.22  -0.22    -0.01   0.00  -0.02     0.12   0.20  -0.12
    19   1     0.11   0.18  -0.18     0.02   0.08  -0.09    -0.01  -0.17   0.19
    20   1    -0.01  -0.06   0.01    -0.03   0.02   0.05     0.07   0.00   0.03
    21   1    -0.19   0.03   0.19    -0.04   0.02   0.05     0.19  -0.08  -0.10
    22   1    -0.17   0.01   0.17    -0.05   0.03   0.07    -0.09   0.10   0.16
    23   1     0.18   0.12  -0.01    -0.10   0.03  -0.00    -0.13   0.21  -0.11
    24   1     0.05   0.03   0.08     0.00  -0.05  -0.01     0.14  -0.44   0.05
    25   1    -0.22  -0.03  -0.15    -0.01   0.01  -0.02    -0.12  -0.01  -0.12
    26   1     0.08   0.08   0.02     0.05   0.03   0.02     0.11   0.06   0.03
    27   1    -0.11   0.06  -0.11    -0.01   0.01  -0.02    -0.15   0.00  -0.14
                     22                     23                     24
                      A                      A                      A
 Frequencies --    860.4846               875.6582               894.8879
 Red. masses --      2.8209                 1.9591                 1.7260
 Frc consts  --      1.2306                 0.8851                 0.8144
 IR Inten    --      0.1594                 3.3053                 8.9442
 RamAct Fr= 1--      5.4987                16.1568                 4.4965
  Dep-P Fr= 1--      0.4939                 0.5940                 0.4287
  Dep-U Fr= 1--      0.6612                 0.7453                 0.6001
 Alpha2 Fr= 1--      0.0279                 0.0468                 0.0300
 Beta2  Fr= 1--      0.6060                 2.0070                 0.4497
 AlphaG Fr= 1--     -0.0556                 0.2330                 0.1941
 Gamma2 Fr= 1--      3.1284                 4.5643                 2.5594
 Delta2 Fr= 1--     -0.6043                -0.6336                 0.4826
 Raman1 Fr= 1--      21.995                 64.627                 17.986
 ROA1   Fr= 1--     280.992                417.894                261.144
 CID1   Fr= 1--      12.775                  6.466                 14.519
 Raman2 Fr= 1--       7.272                 24.084                  5.397
 ROA2   Fr= 1--      79.917                114.611                 57.564
 CID2   Fr= 1--      10.990                  4.759                 10.666
 Raman3 Fr= 1--      14.544                 48.169                 10.794
 ROA3   Fr= 1--     280.992                417.894                261.144
 CID3   Fr= 1--      19.321                  8.676                 24.194
 RC180  Fr= 1--       0.322                  0.491                  0.200
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.03  -0.01    -0.04  -0.00  -0.03     0.02   0.04  -0.01
     2   6     0.10  -0.04   0.04    -0.09  -0.01  -0.04     0.00   0.02   0.05
     3   6     0.02   0.12   0.09     0.03   0.00   0.05     0.04  -0.05   0.02
     4   6     0.08   0.06  -0.06    -0.01   0.10  -0.02    -0.04   0.06   0.02
     5   6     0.14  -0.07  -0.08     0.08  -0.11  -0.04     0.02  -0.07  -0.02
     6   6     0.02   0.02   0.06    -0.00   0.01   0.03    -0.02  -0.01   0.00
     7   8    -0.03   0.02   0.08    -0.02   0.01   0.03    -0.01   0.00  -0.00
     8   6    -0.05   0.03   0.08     0.01  -0.02  -0.06     0.06  -0.02  -0.02
     9   6    -0.05  -0.11  -0.12     0.08   0.08   0.09    -0.10  -0.09   0.03
    10   6    -0.12  -0.07   0.01    -0.00  -0.10  -0.04     0.01   0.12  -0.06
    11   6    -0.09  -0.01  -0.04    -0.04   0.02  -0.01    -0.00   0.02   0.02
    12   1    -0.08   0.05  -0.07     0.08   0.08   0.19    -0.06  -0.35  -0.35
    13   1    -0.10  -0.29  -0.11    -0.07   0.21   0.02     0.30  -0.04   0.18
    14   1     0.09   0.29   0.05     0.00  -0.06   0.07    -0.02  -0.33   0.08
    15   1     0.08   0.13  -0.14    -0.20  -0.28   0.06    -0.14   0.06  -0.15
    16   1    -0.14  -0.39  -0.13    -0.16   0.14  -0.06     0.25   0.20   0.14
    17   1    -0.05   0.07  -0.13     0.07   0.00   0.07    -0.01   0.01  -0.03
    18   1    -0.11  -0.16   0.10     0.12   0.20  -0.11    -0.01  -0.02  -0.00
    19   1     0.01   0.17  -0.18    -0.00  -0.15   0.16     0.02   0.09  -0.08
    20   1    -0.13   0.09   0.11     0.11  -0.03  -0.02    -0.01  -0.04  -0.08
    21   1    -0.09   0.07   0.06     0.18  -0.09  -0.09    -0.11   0.04   0.04
    22   1     0.01   0.02  -0.03    -0.06   0.06   0.13     0.10  -0.11  -0.16
    23   1    -0.01  -0.10  -0.01    -0.07  -0.21   0.08    -0.11  -0.10   0.07
    24   1     0.07   0.28  -0.19     0.01   0.50  -0.23    -0.01   0.34  -0.15
    25   1     0.02  -0.02  -0.00     0.13   0.01   0.06     0.14   0.03   0.05
    26   1    -0.11  -0.07  -0.08    -0.07  -0.08  -0.07     0.03  -0.03  -0.02
    27   1    -0.14  -0.10  -0.11    -0.08  -0.10  -0.07    -0.05  -0.06  -0.05
                     25                     26                     27
                      A                      A                      A
 Frequencies --    928.4926               947.4214               955.8181
 Red. masses --      2.0466                 2.0144                 1.8424
 Frc consts  --      1.0395                 1.0653                 0.9917
 IR Inten    --      5.7556                12.5946                12.4198
 RamAct Fr= 1--      9.3185                15.1695                 9.6205
  Dep-P Fr= 1--      0.7256                 0.3414                 0.6357
  Dep-U Fr= 1--      0.8410                 0.5091                 0.7773
 Alpha2 Fr= 1--      0.0039                 0.1369                 0.0199
 Beta2  Fr= 1--      1.3061                 1.2870                 1.2464
 AlphaG Fr= 1--      0.1266                 0.2464                 0.0094
 Gamma2 Fr= 1--     -1.1159                -1.9656                 0.5219
 Delta2 Fr= 1--     -0.3559                -0.4237                -0.2640
 Raman1 Fr= 1--      37.274                 60.678                 38.482
 ROA1   Fr= 1--    -118.519               -202.251                 41.657
 CID1   Fr= 1--      -3.180                 -3.333                  1.083
 Raman2 Fr= 1--      15.674                 15.445                 14.956
 ROA2   Fr= 1--     -23.935                -43.784                 14.638
 CID2   Fr= 1--      -1.527                 -2.835                  0.979
 Raman3 Fr= 1--      31.347                 30.889                 29.913
 ROA3   Fr= 1--    -118.519               -202.251                 41.657
 CID3   Fr= 1--      -3.781                 -6.548                  1.393
 RC180  Fr= 1--       0.682                  0.018                  0.555
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.03     0.03  -0.03  -0.03    -0.03   0.10   0.01
     2   6    -0.02  -0.04  -0.03     0.03  -0.07  -0.05    -0.06   0.00   0.07
     3   6     0.06  -0.08   0.10     0.00  -0.07  -0.05    -0.05  -0.03   0.00
     4   6    -0.00   0.05  -0.09    -0.02   0.03   0.05     0.01   0.00  -0.01
     5   6    -0.10  -0.05   0.15     0.04  -0.03  -0.05     0.03  -0.00  -0.02
     6   6     0.02  -0.02  -0.03    -0.06  -0.01  -0.01     0.05   0.02   0.02
     7   8     0.03  -0.01  -0.05    -0.01  -0.01  -0.02    -0.01   0.01   0.04
     8   6    -0.06  -0.01   0.00    -0.07   0.02   0.06     0.06  -0.09  -0.04
     9   6    -0.01   0.02  -0.06    -0.07   0.10  -0.09    -0.08   0.04  -0.07
    10   6    -0.01   0.07   0.06     0.11  -0.03   0.10     0.07  -0.05   0.08
    11   6     0.05   0.01  -0.04    -0.01   0.02   0.08    -0.02  -0.02  -0.06
    12   1    -0.03   0.19  -0.00    -0.12   0.44  -0.21    -0.08   0.05  -0.12
    13   1    -0.05  -0.18  -0.05    -0.01   0.01  -0.06    -0.05   0.21  -0.08
    14   1     0.26  -0.15   0.10    -0.09  -0.07  -0.04    -0.02  -0.04   0.01
    15   1     0.11   0.22  -0.11     0.13  -0.04   0.15     0.21  -0.02   0.25
    16   1     0.04  -0.20  -0.01     0.32   0.08   0.29     0.05  -0.02   0.08
    17   1     0.02   0.07  -0.05     0.04   0.21  -0.15    -0.08  -0.36   0.20
    18   1     0.00   0.03  -0.00    -0.07  -0.04   0.12     0.14   0.07  -0.27
    19   1    -0.01  -0.00   0.02    -0.09  -0.03   0.09     0.21   0.16  -0.29
    20   1    -0.02   0.09   0.14    -0.10   0.08   0.12    -0.15   0.14   0.11
    21   1     0.19  -0.06  -0.12     0.01   0.02  -0.01     0.16   0.00  -0.24
    22   1    -0.08   0.14   0.16    -0.06   0.06   0.08     0.21  -0.01  -0.23
    23   1     0.14  -0.03  -0.05    -0.06   0.00   0.05     0.00  -0.04  -0.00
    24   1    -0.36   0.42   0.01     0.18   0.11  -0.10    -0.00  -0.04  -0.01
    25   1    -0.08  -0.04   0.05     0.24   0.08   0.03    -0.15  -0.05  -0.03
    26   1    -0.19  -0.04  -0.03     0.23   0.02   0.03    -0.16  -0.02  -0.04
    27   1     0.22   0.07   0.21    -0.19  -0.10  -0.18     0.07   0.03   0.07
                     28                     29                     30
                      A                      A                      A
 Frequencies --    960.4879               981.5576               996.4541
 Red. masses --      1.8422                 1.6780                 1.7074
 Frc consts  --      1.0013                 0.9525                 0.9988
 IR Inten    --     32.0957                 2.7159                 3.8398
 RamAct Fr= 1--     28.1514                 3.1231                17.7421
  Dep-P Fr= 1--      0.2255                 0.5561                 0.0968
  Dep-U Fr= 1--      0.3680                 0.7147                 0.1764
 Alpha2 Fr= 1--      0.3570                 0.0115                 0.3131
 Beta2  Fr= 1--      1.7265                 0.3720                 0.5218
 AlphaG Fr= 1--     -0.5050                 0.0621                -0.0727
 Gamma2 Fr= 1--     -5.5413                -1.3019                 1.1334
 Delta2 Fr= 1--     -2.9978                -0.3866                 1.0786
 Raman1 Fr= 1--     112.606                 12.492                 70.968
 ROA1   Fr= 1--    -627.891               -137.351                143.320
 CID1   Fr= 1--      -5.576                -10.995                  2.019
 Raman2 Fr= 1--      20.718                  4.464                  6.261
 ROA2   Fr= 1--    -109.008                -28.152                 18.573
 CID2   Fr= 1--      -5.261                 -6.306                  2.966
 Raman3 Fr= 1--      41.436                  8.928                 12.522
 ROA3   Fr= 1--    -627.891               -137.351                143.320
 CID3   Fr= 1--     -15.153                -15.384                 11.445
 RC180  Fr= 1--      -0.264                  0.429                 -0.647
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.07  -0.04    -0.03   0.00   0.10    -0.02  -0.02  -0.04
     2   6    -0.01  -0.06   0.03    -0.03   0.11   0.00    -0.03   0.02   0.02
     3   6     0.08   0.07   0.02    -0.03  -0.05  -0.00     0.07   0.04   0.09
     4   6    -0.00  -0.01   0.01     0.04   0.01  -0.03     0.03  -0.00  -0.04
     5   6    -0.04   0.02   0.03     0.03  -0.01   0.01    -0.03   0.01   0.05
     6   6    -0.10  -0.03  -0.04    -0.06  -0.02  -0.02    -0.04  -0.01  -0.02
     7   8     0.02  -0.02  -0.07     0.00  -0.01  -0.04     0.01  -0.01  -0.04
     8   6    -0.00  -0.08   0.04     0.02   0.02  -0.09     0.07   0.05  -0.02
     9   6     0.03  -0.02   0.02     0.03  -0.03  -0.04    -0.11   0.00  -0.06
    10   6    -0.05  -0.02  -0.05    -0.02   0.01   0.05     0.02  -0.09   0.03
    11   6     0.02   0.04   0.11    -0.02   0.03   0.08     0.01   0.01   0.03
    12   1     0.02   0.01   0.06     0.02  -0.01   0.12    -0.09  -0.19  -0.21
    13   1    -0.01  -0.04   0.01    -0.10  -0.20  -0.07    -0.01   0.42  -0.08
    14   1     0.14   0.20  -0.02     0.08  -0.12   0.01     0.22   0.19   0.05
    15   1    -0.13  -0.03  -0.15     0.12   0.13   0.01     0.15  -0.09   0.22
    16   1    -0.08  -0.04  -0.07    -0.04  -0.18  -0.04    -0.15  -0.10  -0.09
    17   1     0.02  -0.12   0.09    -0.15  -0.35   0.16     0.09   0.12  -0.00
    18   1     0.14   0.16  -0.22    -0.03  -0.16  -0.03     0.05   0.15  -0.02
    19   1     0.12   0.02  -0.08     0.10   0.14  -0.23    -0.06  -0.14   0.18
    20   1    -0.31   0.26   0.26     0.27  -0.15  -0.15     0.14  -0.21  -0.27
    21   1     0.13   0.05  -0.24     0.09  -0.10   0.02    -0.28   0.05   0.25
    22   1     0.21   0.05  -0.23    -0.14   0.04   0.20     0.00  -0.18  -0.08
    23   1     0.05  -0.01   0.02     0.20   0.04  -0.03     0.07  -0.02  -0.03
    24   1     0.06  -0.08   0.06     0.14   0.11  -0.03    -0.07  -0.01   0.06
    25   1     0.29   0.10   0.04     0.25   0.08   0.02     0.09   0.03   0.02
    26   1     0.31   0.05   0.07     0.25   0.02   0.04     0.09   0.01   0.02
    27   1    -0.15  -0.07  -0.15    -0.20  -0.10  -0.19    -0.02  -0.01  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1025.8488              1037.4578              1048.7243
 Red. masses --      1.3006                 1.6763                 1.5740
 Frc consts  --      0.8064                 1.0630                 1.0199
 IR Inten    --     19.3907                 9.2872                 3.2106
 RamAct Fr= 1--      5.2734                 9.8745                26.9409
  Dep-P Fr= 1--      0.1586                 0.3122                 0.2123
  Dep-U Fr= 1--      0.2737                 0.4758                 0.3502
 Alpha2 Fr= 1--      0.0798                 0.0976                 0.3541
 Beta2  Fr= 1--      0.2406                 0.7831                 1.5724
 AlphaG Fr= 1--     -0.8695                 0.2014                 0.0372
 Gamma2 Fr= 1--     -3.9362                 0.5867                -0.6356
 Delta2 Fr= 1--     -0.0761                 0.0239                 3.1796
 Raman1 Fr= 1--      21.093                 39.498                107.764
 ROA1   Fr= 1--    -380.314                 57.093                 40.733
 CID1   Fr= 1--     -18.030                  1.445                  0.378
 Raman2 Fr= 1--       2.887                  9.398                 18.868
 ROA2   Fr= 1--     -93.860                 13.891                -40.690
 CID2   Fr= 1--     -32.511                  1.478                 -2.157
 Raman3 Fr= 1--       5.774                 18.795                 37.737
 ROA3   Fr= 1--    -380.314                 57.093                 40.733
 CID3   Fr= 1--     -65.867                  3.038                  1.079
 RC180  Fr= 1--      -0.453                 -0.048                 -0.300
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01  -0.02     0.05   0.02   0.04     0.09   0.01  -0.05
     2   6     0.01   0.00  -0.01    -0.01  -0.00   0.01    -0.03  -0.06   0.05
     3   6    -0.04  -0.03  -0.03     0.06   0.09   0.02    -0.11  -0.02  -0.00
     4   6     0.01  -0.05   0.01    -0.00  -0.06   0.03     0.05  -0.00  -0.06
     5   6     0.02  -0.05   0.00    -0.02  -0.03   0.02     0.03   0.01   0.01
     6   6    -0.01   0.06  -0.02    -0.03   0.10  -0.04    -0.00   0.01  -0.01
     7   8    -0.00  -0.01   0.01     0.01  -0.02   0.00    -0.00  -0.01  -0.01
     8   6     0.03   0.00   0.04    -0.04  -0.01  -0.06    -0.02  -0.05  -0.03
     9   6     0.04   0.00  -0.00    -0.06  -0.00   0.01    -0.01   0.02   0.07
    10   6    -0.02   0.04   0.02     0.03  -0.07  -0.04    -0.00   0.05   0.01
    11   6     0.00  -0.06   0.02     0.03  -0.08   0.02    -0.02  -0.01   0.03
    12   1     0.04  -0.01   0.10    -0.05  -0.00  -0.15     0.04  -0.32   0.03
    13   1    -0.04  -0.01  -0.03     0.06   0.07   0.04     0.06   0.42   0.05
    14   1    -0.07  -0.05  -0.03     0.07   0.08   0.03    -0.03  -0.03  -0.01
    15   1     0.14   0.14   0.04    -0.19  -0.23  -0.03     0.21   0.14   0.14
    16   1    -0.08  -0.09  -0.07     0.11   0.15   0.11    -0.24  -0.07  -0.21
    17   1     0.06  -0.00   0.07    -0.09  -0.03  -0.07     0.02   0.31  -0.26
    18   1     0.10   0.15  -0.10    -0.11  -0.21   0.10    -0.14  -0.13   0.21
    19   1     0.00  -0.14   0.13     0.02   0.19  -0.20    -0.11   0.12  -0.03
    20   1    -0.12   0.02  -0.01     0.15  -0.02   0.03    -0.01   0.07   0.11
    21   1    -0.16   0.09   0.06     0.22  -0.12  -0.10     0.21  -0.08  -0.16
    22   1     0.12  -0.10  -0.19    -0.15   0.13   0.24    -0.01   0.08   0.06
    23   1    -0.03   0.55  -0.17    -0.15   0.27  -0.08     0.24  -0.02  -0.04
    24   1    -0.02   0.47  -0.16    -0.12   0.18  -0.04     0.09  -0.01   0.02
    25   1    -0.15  -0.01  -0.15    -0.27  -0.04  -0.21     0.04   0.02  -0.03
    26   1     0.17   0.12   0.11     0.20   0.18   0.17     0.11   0.02   0.03
    27   1    -0.05   0.10  -0.06     0.02   0.19  -0.01    -0.10  -0.02  -0.09
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1055.1060              1153.6606              1182.6438
 Red. masses --      1.5960                 1.6853                 1.6882
 Frc consts  --      1.0468                 1.3216                 1.3912
 IR Inten    --      2.8316                22.1074                41.9542
 RamAct Fr= 1--      6.0289                55.6749                14.7097
  Dep-P Fr= 1--      0.7456                 0.4194                 0.6209
  Dep-U Fr= 1--      0.8543                 0.5910                 0.7662
 Alpha2 Fr= 1--      0.0004                 0.3842                 0.0347
 Beta2  Fr= 1--      0.8584                 5.4837                 1.8783
 AlphaG Fr= 1--     -0.0621                 0.8126                -0.0937
 Gamma2 Fr= 1--      0.6100                 4.8712                -0.2242
 Delta2 Fr= 1--     -0.2501                -0.1338                 0.6839
 Raman1 Fr= 1--      24.115                222.699                 58.839
 ROA1   Fr= 1--      50.553                463.353                  0.363
 CID1   Fr= 1--       2.096                  2.081                  0.006
 Raman2 Fr= 1--      10.301                 65.804                 22.540
 ROA2   Fr= 1--      16.640                117.978                -10.851
 CID2   Fr= 1--       1.615                  1.793                 -0.481
 Raman3 Fr= 1--      20.601                131.608                 45.080
 ROA3   Fr= 1--      50.553                463.353                  0.363
 CID3   Fr= 1--       2.454                  3.521                  0.008
 RC180  Fr= 1--       0.709                  0.182                  0.532
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.01     0.04   0.01   0.06    -0.01  -0.01  -0.03
     2   6    -0.01  -0.00   0.01    -0.06  -0.00  -0.10     0.02   0.02   0.07
     3   6     0.01   0.04  -0.00     0.09  -0.12  -0.03     0.02   0.03  -0.05
     4   6     0.02  -0.11   0.03    -0.05   0.03   0.05    -0.05  -0.00   0.04
     5   6    -0.01   0.05  -0.01    -0.00  -0.02  -0.02    -0.00  -0.01  -0.05
     6   6     0.02  -0.14   0.04    -0.04  -0.01   0.01    -0.16  -0.02   0.01
     7   8    -0.00   0.03  -0.01     0.00   0.01   0.02     0.02   0.02   0.05
     8   6    -0.01  -0.01  -0.02     0.01   0.00   0.03    -0.02  -0.01  -0.03
     9   6    -0.02   0.00   0.01     0.00   0.06  -0.01     0.00  -0.02  -0.01
    10   6     0.01  -0.02  -0.01     0.01   0.02   0.06    -0.04  -0.01  -0.00
    11   6    -0.02   0.10  -0.03     0.03   0.00  -0.02     0.08  -0.00  -0.05
    12   1    -0.01  -0.04  -0.04     0.07  -0.41   0.10    -0.00   0.02   0.02
    13   1     0.02   0.09   0.01    -0.03   0.16  -0.03    -0.02   0.07  -0.03
    14   1     0.00   0.01   0.01     0.03   0.60  -0.19     0.39  -0.17  -0.04
    15   1    -0.02  -0.05   0.02    -0.12   0.03  -0.17     0.17   0.11   0.08
    16   1     0.01   0.04   0.01    -0.13  -0.14  -0.11     0.01  -0.06   0.02
    17   1    -0.03   0.01  -0.03    -0.12  -0.07  -0.05     0.06   0.06   0.00
    18   1    -0.03  -0.07   0.03    -0.09  -0.22   0.08     0.02   0.09   0.00
    19   1     0.00   0.06  -0.06     0.00   0.17  -0.16    -0.02  -0.07   0.08
    20   1     0.03   0.01   0.02    -0.10   0.02  -0.01     0.08   0.00   0.03
    21   1     0.08  -0.04  -0.04    -0.10   0.07   0.02     0.11  -0.07  -0.04
    22   1    -0.03   0.04   0.06     0.05  -0.04  -0.08    -0.04   0.06   0.07
    23   1    -0.12   0.65  -0.21    -0.10   0.03   0.05     0.16   0.03   0.04
    24   1    -0.06   0.24  -0.07     0.13   0.09  -0.06     0.62   0.06  -0.08
    25   1     0.29   0.03   0.25    -0.04  -0.02   0.03    -0.10  -0.06   0.07
    26   1    -0.26  -0.21  -0.20    -0.06   0.01  -0.00    -0.12   0.06   0.04
    27   1     0.04  -0.21   0.07     0.10   0.04   0.09     0.30   0.14   0.26
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1203.5624              1215.3531              1233.3758
 Red. masses --      1.8657                 1.8298                 1.5772
 Frc consts  --      1.5923                 1.5924                 1.4136
 IR Inten    --     17.6000                20.5364                 3.7572
 RamAct Fr= 1--      7.0474                 4.8446                42.8626
  Dep-P Fr= 1--      0.2620                 0.6469                 0.4334
  Dep-U Fr= 1--      0.4152                 0.7856                 0.6047
 Alpha2 Fr= 1--      0.0807                 0.0090                 0.2805
 Beta2  Fr= 1--      0.4877                 0.6343                 4.3198
 AlphaG Fr= 1--      0.0960                -0.0297                 0.1369
 Gamma2 Fr= 1--      0.7431                 3.3650                 0.5626
 Delta2 Fr= 1--     -0.8349                 1.0015                 1.2477
 Raman1 Fr= 1--      28.190                 19.378                171.450
 ROA1   Fr= 1--      44.623                355.092                 93.937
 CID1   Fr= 1--       1.583                 18.324                  0.548
 Raman2 Fr= 1--       5.853                  7.612                 51.838
 ROA2   Fr= 1--      24.514                 72.748                  3.522
 CID2   Fr= 1--       4.188                  9.557                  0.068
 Raman3 Fr= 1--      11.706                 15.224                103.675
 ROA3   Fr= 1--      44.623                355.092                 93.937
 CID3   Fr= 1--       3.812                 23.325                  0.906
 RC180  Fr= 1--      -0.170                  0.571                  0.209
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.03  -0.00     0.01   0.03   0.04     0.04  -0.01   0.03
     2   6     0.18  -0.04   0.05    -0.02  -0.07  -0.09    -0.07   0.03  -0.07
     3   6     0.04  -0.09  -0.04    -0.05  -0.02   0.09     0.09   0.02  -0.07
     4   6    -0.02   0.03   0.03     0.06  -0.01  -0.07    -0.06   0.01   0.07
     5   6    -0.01  -0.01  -0.00     0.01  -0.00  -0.01    -0.01  -0.00   0.00
     6   6     0.04   0.00  -0.00    -0.12  -0.02   0.00     0.08   0.01   0.00
     7   8    -0.01  -0.00  -0.00     0.02   0.01   0.01    -0.01  -0.00  -0.01
     8   6    -0.08   0.03  -0.05     0.02   0.03   0.03     0.01  -0.01   0.02
     9   6    -0.05  -0.03   0.05    -0.03  -0.03   0.09    -0.00  -0.04   0.07
    10   6    -0.02   0.04  -0.05     0.06   0.02  -0.08    -0.04  -0.01  -0.05
    11   6    -0.01   0.00   0.01     0.04   0.00  -0.02    -0.02  -0.00   0.01
    12   1    -0.04  -0.02  -0.12    -0.09   0.47  -0.21    -0.05   0.33  -0.12
    13   1     0.11   0.17   0.08     0.15  -0.15   0.18     0.06  -0.00   0.09
    14   1    -0.12   0.47  -0.16    -0.32   0.16   0.06     0.39  -0.24  -0.03
    15   1     0.28   0.12   0.23     0.09  -0.08   0.21     0.46   0.15   0.37
    16   1    -0.10   0.03  -0.11    -0.22   0.16  -0.23    -0.22  -0.05  -0.19
    17   1     0.06  -0.13   0.19    -0.10  -0.13   0.02    -0.08  -0.02  -0.07
    18   1     0.13   0.17  -0.20     0.01  -0.09  -0.06    -0.07  -0.14   0.08
    19   1     0.14  -0.11   0.01     0.07   0.11  -0.13    -0.04   0.09  -0.05
    20   1     0.17   0.00   0.06    -0.05  -0.03  -0.07    -0.08   0.02  -0.00
    21   1     0.14  -0.13   0.02    -0.15   0.06   0.11    -0.05   0.05  -0.03
    22   1    -0.21   0.16   0.29    -0.01  -0.08  -0.02     0.06  -0.02  -0.08
    23   1    -0.12   0.01   0.03     0.22   0.02  -0.08    -0.18  -0.03   0.08
    24   1    -0.10   0.02  -0.01     0.17   0.04  -0.03    -0.10  -0.02   0.01
    25   1     0.01   0.01  -0.01    -0.02  -0.03   0.06     0.00   0.02  -0.04
    26   1     0.01  -0.02  -0.01    -0.03   0.05   0.03     0.01  -0.03  -0.02
    27   1    -0.06  -0.03  -0.05     0.16   0.07   0.15    -0.09  -0.04  -0.09
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1244.3785              1261.9541              1277.2339
 Red. masses --      1.8557                 1.4447                 1.4974
 Frc consts  --      1.6930                 1.3556                 1.4393
 IR Inten    --      2.4328                35.5767                 1.1178
 RamAct Fr= 1--      3.2092                16.2306                 9.3017
  Dep-P Fr= 1--      0.3151                 0.3122                 0.3290
  Dep-U Fr= 1--      0.4792                 0.4758                 0.4952
 Alpha2 Fr= 1--      0.0314                 0.1605                 0.0873
 Beta2  Fr= 1--      0.2563                 1.2871                 0.7676
 AlphaG Fr= 1--      0.0749                -0.0038                 0.0938
 Gamma2 Fr= 1--      0.5294                 0.7529                 1.5074
 Delta2 Fr= 1--     -0.1102                -1.0559                 0.6679
 Raman1 Fr= 1--      12.837                 64.922                 37.207
 ROA1   Fr= 1--      47.295                 38.486                166.080
 CID1   Fr= 1--       3.684                  0.593                  4.464
 Raman2 Fr= 1--       3.076                 15.445                  9.212
 ROA2   Fr= 1--      13.588                 26.516                 30.833
 CID2   Fr= 1--       4.417                  1.717                  3.347
 Raman3 Fr= 1--       6.152                 30.890                 18.423
 ROA3   Fr= 1--      47.295                 38.486                166.080
 CID3   Fr= 1--       7.688                  1.246                  9.015
 RC180  Fr= 1--      -0.042                 -0.048                 -0.010
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.06   0.00    -0.00  -0.00  -0.02     0.03  -0.01  -0.02
     2   6     0.07   0.18  -0.05    -0.01   0.00   0.05    -0.08   0.03   0.06
     3   6    -0.01  -0.01   0.04    -0.06  -0.02  -0.00    -0.02  -0.07   0.06
     4   6     0.02   0.00  -0.02    -0.07  -0.01   0.02    -0.02  -0.01  -0.02
     5   6     0.01   0.00   0.00    -0.03  -0.01  -0.00    -0.01  -0.00   0.01
     6   6    -0.03  -0.01   0.00     0.09   0.02   0.00     0.04   0.01   0.00
     7   8     0.01   0.00  -0.00    -0.02  -0.00   0.01    -0.01  -0.00  -0.00
     8   6    -0.03  -0.07   0.02     0.00   0.00  -0.01     0.03  -0.01  -0.01
     9   6    -0.07   0.10   0.01    -0.04   0.00  -0.01     0.04   0.00  -0.01
    10   6     0.03  -0.06  -0.04     0.12   0.02   0.02    -0.07  -0.01  -0.11
    11   6     0.01   0.00  -0.00    -0.03  -0.00   0.01    -0.01   0.00   0.01
    12   1    -0.00  -0.44  -0.10    -0.06   0.17  -0.09     0.03   0.11   0.08
    13   1     0.12  -0.54   0.17     0.09  -0.32   0.09    -0.03  -0.16  -0.01
    14   1    -0.08   0.03   0.04     0.47   0.20  -0.09     0.13   0.53  -0.08
    15   1     0.17  -0.10   0.27    -0.31  -0.17  -0.20     0.21   0.05   0.21
    16   1    -0.11   0.04  -0.09    -0.31   0.03  -0.29     0.47   0.22   0.36
    17   1     0.04   0.01   0.03     0.04   0.04  -0.00     0.01   0.09  -0.08
    18   1    -0.05  -0.02   0.11     0.01   0.06   0.01    -0.02   0.03   0.07
    19   1    -0.09  -0.14   0.18    -0.02  -0.03   0.04    -0.08   0.04   0.01
    20   1    -0.13   0.13   0.19     0.05  -0.02  -0.02     0.01  -0.03  -0.05
    21   1     0.11   0.03  -0.21     0.02  -0.02   0.01    -0.01   0.01  -0.01
    22   1     0.12   0.13  -0.07    -0.00  -0.01  -0.01     0.04  -0.04  -0.06
    23   1     0.01  -0.01  -0.02     0.26   0.08   0.01     0.22   0.06  -0.03
    24   1    -0.04   0.00  -0.00     0.25   0.05  -0.01     0.12   0.05  -0.00
    25   1     0.00  -0.01   0.02    -0.01   0.02  -0.05    -0.01   0.01  -0.03
    26   1    -0.00   0.02   0.01    -0.00  -0.05  -0.03    -0.00  -0.03  -0.02
    27   1     0.04   0.02   0.03    -0.10  -0.05  -0.10    -0.05  -0.02  -0.04
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1291.4346              1307.3593              1339.0706
 Red. masses --      2.0109                 1.7713                 1.4373
 Frc consts  --      1.9760                 1.7837                 1.5184
 IR Inten    --     11.9040                24.3228                 0.6940
 RamAct Fr= 1--      7.5459                 2.3336                34.5522
  Dep-P Fr= 1--      0.3742                 0.5070                 0.2857
  Dep-U Fr= 1--      0.5446                 0.6728                 0.4444
 Alpha2 Fr= 1--      0.0611                 0.0112                 0.3698
 Beta2  Fr= 1--      0.6849                 0.2617                 2.5591
 AlphaG Fr= 1--      0.0729                 0.0073                -0.0445
 Gamma2 Fr= 1--     -3.0390                -0.2241                -0.8715
 Delta2 Fr= 1--     -3.3115                -0.3057                 0.1307
 Raman1 Fr= 1--      30.184                  9.334                138.209
 ROA1   Fr= 1--    -397.707                -31.293                -79.478
 CID1   Fr= 1--     -13.176                 -3.352                 -0.575
 Raman2 Fr= 1--       8.219                  3.140                 30.709
 ROA2   Fr= 1--     -46.443                 -2.931                -21.961
 CID2   Fr= 1--      -5.651                 -0.934                 -0.715
 Raman3 Fr= 1--      16.438                  6.280                 61.417
 ROA3   Fr= 1--    -397.707                -31.293                -79.478
 CID3   Fr= 1--     -24.194                 -4.983                 -1.294
 RC180  Fr= 1--       0.089                  0.346                 -0.111
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.07  -0.02     0.02   0.01  -0.04     0.01   0.00  -0.01
     2   6    -0.03   0.20   0.05    -0.10  -0.06   0.16    -0.02  -0.00   0.03
     3   6     0.01  -0.06  -0.01     0.04  -0.02  -0.08     0.04   0.01  -0.01
     4   6     0.03   0.01  -0.01     0.05   0.00   0.02     0.01   0.04   0.12
     5   6     0.02   0.00   0.01     0.05   0.01   0.01    -0.02  -0.04  -0.13
     6   6    -0.04  -0.01   0.00    -0.07  -0.01  -0.00    -0.03  -0.00   0.00
     7   8     0.01   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00   0.00
     8   6     0.00  -0.07  -0.01     0.02   0.03  -0.04     0.00   0.00  -0.01
     9   6     0.01  -0.16  -0.00     0.01   0.06  -0.03    -0.00   0.00  -0.01
    10   6     0.04   0.03   0.03     0.01   0.01   0.01    -0.00  -0.00   0.01
    11   6     0.01   0.00  -0.01     0.01  -0.00  -0.01     0.02   0.00  -0.00
    12   1    -0.09   0.53  -0.12     0.01   0.05   0.06    -0.01   0.02   0.03
    13   1    -0.09   0.35  -0.12     0.05  -0.56   0.08     0.02  -0.05   0.01
    14   1    -0.24   0.27  -0.06    -0.18   0.10  -0.09    -0.12  -0.00   0.01
    15   1    -0.20  -0.06  -0.12     0.09   0.03   0.07     0.02   0.02  -0.00
    16   1    -0.08  -0.08  -0.10    -0.19  -0.05  -0.17    -0.05  -0.02  -0.03
    17   1     0.07   0.13  -0.05     0.04   0.16  -0.10     0.01   0.01  -0.01
    18   1    -0.04   0.07   0.16     0.04   0.11   0.01    -0.01   0.02   0.04
    19   1    -0.14  -0.04   0.10    -0.05   0.06  -0.04    -0.04   0.01   0.01
    20   1    -0.05   0.08   0.11     0.14  -0.11  -0.13     0.02  -0.01  -0.01
    21   1     0.08   0.02  -0.17     0.07  -0.07   0.05     0.02  -0.01   0.00
    22   1     0.10   0.12  -0.04    -0.03  -0.10  -0.03    -0.01  -0.01  -0.00
    23   1    -0.21  -0.01  -0.01    -0.52  -0.06   0.01     0.70   0.16   0.12
    24   1    -0.14   0.01   0.00    -0.22  -0.03   0.02    -0.60  -0.14  -0.11
    25   1     0.02  -0.01   0.03     0.03  -0.02   0.05    -0.02  -0.02   0.03
    26   1     0.01   0.03   0.02     0.02   0.05   0.03    -0.02   0.03   0.02
    27   1     0.05   0.02   0.05     0.07   0.04   0.07     0.03   0.01   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1377.9735              1392.4718              1405.9125
 Red. masses --      1.3209                 1.5796                 1.2727
 Frc consts  --      1.4777                 1.8046                 1.4822
 IR Inten    --      3.9951                96.3392                 7.9052
 RamAct Fr= 1--      1.9846                 3.8597                 0.8949
  Dep-P Fr= 1--      0.6961                 0.2449                 0.4572
  Dep-U Fr= 1--      0.8209                 0.3935                 0.6275
 Alpha2 Fr= 1--      0.0019                 0.0464                 0.0053
 Beta2  Fr= 1--      0.2715                 0.2531                 0.0936
 AlphaG Fr= 1--      0.0085                 0.0434                -0.0102
 Gamma2 Fr= 1--      0.1721                 0.7501                -0.2469
 Delta2 Fr= 1--      0.2016                 0.0309                -0.0041
 Raman1 Fr= 1--       7.939                 15.439                  3.580
 ROA1   Fr= 1--      22.975                 72.999                -23.834
 CID1   Fr= 1--       2.894                  4.728                 -6.658
 Raman2 Fr= 1--       3.258                  3.037                  1.123
 ROA2   Fr= 1--       2.519                 17.755                 -5.893
 CID2   Fr= 1--       0.773                  5.846                 -5.247
 Raman3 Fr= 1--       6.516                  6.075                  2.246
 ROA3   Fr= 1--      22.975                 72.999                -23.834
 CID3   Fr= 1--       3.526                 12.017                -10.611
 RC180  Fr= 1--       0.642                 -0.213                  0.255
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.00    -0.00   0.01  -0.00     0.03   0.06  -0.06
     2   6     0.02  -0.01  -0.03     0.02  -0.01  -0.03    -0.02  -0.01   0.03
     3   6    -0.09  -0.02   0.01    -0.11  -0.02   0.01     0.02   0.00  -0.01
     4   6     0.02   0.01   0.02     0.05   0.01   0.02    -0.00  -0.00  -0.00
     5   6     0.06   0.01  -0.01     0.08   0.01  -0.01    -0.01   0.00   0.00
     6   6    -0.02  -0.00   0.01    -0.10  -0.02   0.00     0.00   0.00  -0.00
     7   8     0.00  -0.00  -0.01     0.01   0.00  -0.01    -0.00   0.00   0.00
     8   6     0.00   0.00   0.01     0.00  -0.00   0.00     0.08  -0.04  -0.08
     9   6     0.00  -0.00   0.01     0.00  -0.00   0.01     0.00   0.00  -0.01
    10   6     0.01   0.00  -0.01     0.01   0.00  -0.01    -0.00  -0.00   0.00
    11   6    -0.08  -0.03  -0.06     0.11   0.04   0.06    -0.00  -0.00  -0.00
    12   1     0.00  -0.01   0.01     0.00  -0.00   0.02     0.00   0.02   0.02
    13   1     0.02   0.05   0.01     0.02   0.05   0.01     0.01  -0.05   0.00
    14   1     0.48   0.07  -0.05     0.50   0.08  -0.05    -0.08   0.01  -0.01
    15   1    -0.04  -0.01  -0.04    -0.04  -0.01  -0.04     0.03   0.03  -0.02
    16   1     0.06   0.08   0.05     0.06   0.08   0.05    -0.03   0.02  -0.01
    17   1    -0.01  -0.06   0.03    -0.01  -0.07   0.04    -0.00  -0.31   0.12
    18   1    -0.03  -0.05  -0.01    -0.04  -0.06  -0.00    -0.23  -0.22   0.16
    19   1     0.03  -0.04   0.03     0.03  -0.05   0.05    -0.03  -0.16   0.32
    20   1    -0.02   0.02   0.02    -0.02   0.02   0.02    -0.25   0.31   0.17
    21   1    -0.03   0.01   0.02    -0.03   0.01   0.02    -0.40   0.04   0.21
    22   1     0.00   0.00   0.00     0.00   0.00   0.01    -0.16   0.11   0.41
    23   1    -0.12  -0.01   0.02    -0.22  -0.02   0.02    -0.02   0.01  -0.01
    24   1    -0.31  -0.05   0.01    -0.35  -0.06   0.01     0.04   0.01   0.00
    25   1     0.37  -0.07   0.28    -0.38   0.04  -0.20     0.01   0.00   0.00
    26   1     0.30   0.33   0.15    -0.33  -0.26  -0.10     0.01   0.00   0.00
    27   1     0.19   0.13   0.31    -0.13  -0.11  -0.27     0.00   0.00   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1423.3862              1464.8760              1474.3419
 Red. masses --      1.2281                 1.0593                 1.0480
 Frc consts  --      1.4660                 1.3392                 1.3421
 IR Inten    --      3.4443                15.0515                 9.1524
 RamAct Fr= 1--      1.0565                 8.5613                 6.9266
  Dep-P Fr= 1--      0.7282                 0.4538                 0.7492
  Dep-U Fr= 1--      0.8427                 0.6243                 0.8566
 Alpha2 Fr= 1--      0.0004                 0.0517                 0.0001
 Beta2  Fr= 1--      0.1484                 0.8908                 0.9889
 AlphaG Fr= 1--     -0.0003                 0.0163                 0.0031
 Gamma2 Fr= 1--     -0.2148                 0.3554                -0.2281
 Delta2 Fr= 1--     -0.1186                 0.0943                 0.0081
 Raman1 Fr= 1--       4.226                 34.245                 27.707
 ROA1   Fr= 1--     -24.419                 37.134                -21.636
 CID1   Fr= 1--      -5.778                  1.084                 -0.781
 Raman2 Fr= 1--       1.781                 10.689                 11.867
 ROA2   Fr= 1--      -4.207                  7.775                 -5.539
 CID2   Fr= 1--      -2.363                  0.727                 -0.467
 Raman3 Fr= 1--       3.561                 21.379                 23.735
 ROA3   Fr= 1--     -24.419                 37.134                -21.636
 CID3   Fr= 1--      -6.857                  1.737                 -0.912
 RC180  Fr= 1--       0.685                  0.249                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.08  -0.07    -0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.01   0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
     3   6     0.01  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01    -0.00  -0.00   0.00
     5   6    -0.01  -0.00   0.00    -0.00   0.00   0.01    -0.00   0.01  -0.00
     6   6     0.00   0.00  -0.00     0.01   0.01   0.02     0.00  -0.02   0.01
     7   8    -0.00   0.00   0.00    -0.00  -0.01  -0.02    -0.00   0.00  -0.00
     8   6    -0.06   0.04   0.05     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   6     0.01  -0.01   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6    -0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00     0.05  -0.00  -0.03     0.01  -0.05   0.02
    12   1    -0.00   0.03  -0.06     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   1    -0.06   0.02  -0.03    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1    -0.07   0.02  -0.00    -0.02  -0.00   0.00    -0.00   0.00  -0.00
    15   1    -0.01  -0.01   0.02     0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1     0.01  -0.03  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   1    -0.01  -0.37   0.15     0.01   0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.29  -0.32   0.15    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    19   1     0.01  -0.23   0.40     0.01  -0.00  -0.00     0.00  -0.00   0.00
    20   1     0.20  -0.24  -0.15    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   1     0.34  -0.06  -0.13     0.00   0.00  -0.00    -0.00   0.00  -0.00
    22   1     0.10  -0.13  -0.32    -0.00  -0.00   0.00     0.00   0.00   0.00
    23   1    -0.00   0.01  -0.01    -0.00  -0.00  -0.01    -0.00   0.01  -0.00
    24   1     0.03   0.01  -0.00     0.05   0.01   0.01     0.00  -0.01   0.00
    25   1     0.00   0.00  -0.00    -0.16  -0.23   0.56     0.45   0.09  -0.15
    26   1     0.01  -0.00  -0.00    -0.27   0.44   0.35    -0.47   0.02   0.12
    27   1     0.00   0.00   0.00    -0.21  -0.15  -0.37    -0.12   0.68  -0.21
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1483.1675              1485.6669              1492.5499
 Red. masses --      1.0673                 1.0452                 1.0650
 Frc consts  --      1.3833                 1.3593                 1.3979
 IR Inten    --      1.5335                 0.6249                 6.0465
 RamAct Fr= 1--      6.4990                10.3527                 6.6070
  Dep-P Fr= 1--      0.7048                 0.7340                 0.7486
  Dep-U Fr= 1--      0.8269                 0.8466                 0.8563
 Alpha2 Fr= 1--      0.0051                 0.0028                 0.0002
 Beta2  Fr= 1--      0.8956                 1.4607                 0.9429
 AlphaG Fr= 1--     -0.0278                 0.0023                -0.0025
 Gamma2 Fr= 1--     -2.3385                -0.1734                 2.1411
 Delta2 Fr= 1--     -0.9704                 0.2576                 0.7541
 Raman1 Fr= 1--      25.996                 41.411                 26.428
 ROA1   Fr= 1--    -255.550                 -8.408                229.676
 CID1   Fr= 1--      -9.830                 -0.203                  8.691
 Raman2 Fr= 1--      10.748                 17.529                 11.315
 ROA2   Fr= 1--     -48.360                 -6.223                 45.354
 CID2   Fr= 1--      -4.500                 -0.355                  4.008
 Raman3 Fr= 1--      21.495                 35.057                 22.629
 ROA3   Fr= 1--    -255.550                 -8.408                229.676
 CID3   Fr= 1--     -11.889                 -0.240                 10.150
 RC180  Fr= 1--       0.654                  0.693                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.01    -0.04  -0.00  -0.02    -0.02   0.02   0.02
     2   6    -0.01  -0.00   0.01    -0.00   0.00   0.00    -0.01   0.01   0.02
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.01  -0.02   0.01     0.03   0.00   0.03    -0.00  -0.02   0.00
     9   6    -0.02  -0.00  -0.04     0.00   0.00   0.00     0.02   0.00   0.02
    10   6    -0.00   0.04  -0.02    -0.00   0.00  -0.00     0.00  -0.04   0.02
    11   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    12   1    -0.03   0.07   0.37    -0.00   0.00  -0.01     0.01  -0.02  -0.23
    13   1     0.36   0.05   0.12    -0.01  -0.01   0.00    -0.23  -0.06  -0.07
    14   1    -0.01  -0.00  -0.00     0.01   0.00  -0.00    -0.03   0.02  -0.00
    15   1    -0.15  -0.20   0.26    -0.01  -0.01   0.02     0.17   0.22  -0.28
    16   1     0.14  -0.33  -0.04     0.00  -0.03  -0.01    -0.16   0.36   0.05
    17   1    -0.03   0.17  -0.09     0.37   0.18   0.27    -0.05   0.25  -0.15
    18   1    -0.01  -0.25  -0.19    -0.18  -0.06   0.21     0.01  -0.32  -0.28
    19   1     0.23  -0.16   0.06     0.33  -0.07  -0.22     0.29  -0.21   0.08
    20   1     0.18  -0.10  -0.01    -0.36  -0.14  -0.33     0.14  -0.10  -0.03
    21   1    -0.19   0.16  -0.10     0.10   0.19  -0.31    -0.15   0.14  -0.11
    22   1     0.14   0.30   0.01    -0.17  -0.12   0.24     0.11   0.25   0.02
    23   1     0.00   0.00   0.00    -0.00   0.01  -0.00     0.02  -0.00   0.00
    24   1     0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    26   1     0.00   0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    27   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1501.8407              1505.4414              1509.2461
 Red. masses --      1.0917                 1.0660                 1.0658
 Frc consts  --      1.4508                 1.4234                 1.4304
 IR Inten    --      3.8785                 8.9955                 5.7837
 RamAct Fr= 1--      9.6122                 7.6947                 0.4315
  Dep-P Fr= 1--      0.6550                 0.7104                 0.2887
  Dep-U Fr= 1--      0.7915                 0.8307                 0.4480
 Alpha2 Fr= 1--      0.0163                 0.0053                 0.0046
 Beta2  Fr= 1--      1.2681                 1.0653                 0.0322
 AlphaG Fr= 1--     -0.0023                -0.0242                -0.0069
 Gamma2 Fr= 1--     -0.6328                 0.0235                -0.2831
 Delta2 Fr= 1--      0.4198                 1.8678                 0.0376
 Raman1 Fr= 1--      38.449                 30.779                  1.726
 ROA1   Fr= 1--     -47.311                 62.020                -25.977
 CID1   Fr= 1--      -1.230                  2.015                -15.050
 Raman2 Fr= 1--      15.217                 12.784                  0.387
 ROA2   Fr= 1--     -18.545                -14.379                 -7.096
 CID2   Fr= 1--      -1.219                 -1.125                -18.351
 Raman3 Fr= 1--      30.434                 25.567                  0.773
 ROA3   Fr= 1--     -47.311                 62.020                -25.977
 CID3   Fr= 1--      -1.555                  2.426                -33.590
 RC180  Fr= 1--       0.583                  0.661                 -0.104
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.00     0.01  -0.01  -0.03    -0.02  -0.01  -0.02
     2   6    -0.02   0.03  -0.02    -0.00  -0.03  -0.01    -0.03  -0.02  -0.02
     3   6     0.01  -0.00   0.01     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.01   0.02  -0.02    -0.02  -0.02   0.02    -0.02  -0.01  -0.02
     9   6    -0.03  -0.02  -0.04    -0.02  -0.00  -0.02     0.02   0.01   0.03
    10   6     0.00  -0.04   0.01    -0.00  -0.03   0.01    -0.00   0.02  -0.01
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    12   1    -0.04   0.09   0.37    -0.02   0.03   0.24     0.03  -0.04  -0.24
    13   1     0.37   0.08   0.12     0.23   0.05   0.08    -0.24  -0.06  -0.07
    14   1    -0.04   0.01   0.01    -0.02  -0.01   0.01     0.01  -0.01   0.00
    15   1     0.13   0.15  -0.20     0.13   0.16  -0.21    -0.06  -0.08   0.12
    16   1    -0.11   0.26   0.03    -0.12   0.27   0.03     0.07  -0.15  -0.02
    17   1     0.15   0.17   0.07     0.12  -0.21   0.20     0.34   0.12   0.26
    18   1    -0.09  -0.15   0.02    -0.06   0.26   0.30    -0.17   0.01   0.25
    19   1     0.24  -0.11  -0.07    -0.19   0.17  -0.10     0.24  -0.00  -0.24
    20   1    -0.01   0.19   0.20     0.24  -0.18  -0.05     0.33   0.11   0.29
    21   1     0.17  -0.28   0.26    -0.20   0.21  -0.15    -0.16  -0.13   0.27
    22   1    -0.04  -0.28  -0.17     0.17   0.37  -0.01     0.17   0.16  -0.20
    23   1    -0.00  -0.00  -0.01    -0.02  -0.00  -0.01     0.01   0.01  -0.00
    24   1     0.01   0.00   0.00     0.01   0.00   0.00    -0.01  -0.00  -0.00
    25   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    27   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1674.1597              1761.9057              3020.5435
 Red. masses --      6.6567                 8.4459                 1.0348
 Frc consts  --     10.9927                15.4476                 5.5627
 IR Inten    --    253.6549               111.4582                23.6476
 RamAct Fr= 1--    703.0012                22.8740                38.2801
  Dep-P Fr= 1--      0.2677                 0.7318                 0.0627
  Dep-U Fr= 1--      0.4223                 0.8451                 0.1180
 Alpha2 Fr= 1--      7.9256                 0.0071                 0.7336
 Beta2  Fr= 1--     49.4787                 3.2219                 0.7529
 AlphaG Fr= 1--     -1.7726                 0.0365                 0.1239
 Gamma2 Fr= 1--    -21.6103                 1.1812                -2.0575
 Delta2 Fr= 1--      2.8503                -0.1177                -1.6654
 Raman1 Fr= 1--    2812.005                 91.496                153.121
 ROA1   Fr= 1--   -1983.381                109.629               -250.816
 CID1   Fr= 1--      -0.705                  1.198                 -1.638
 Raman2 Fr= 1--     593.745                 38.663                  9.034
 ROA2   Fr= 1--    -541.450                 29.290                -36.058
 CID2   Fr= 1--      -0.912                  0.758                 -3.991
 Raman3 Fr= 1--    1187.490                 77.326                 18.069
 ROA3   Fr= 1--   -1983.381                109.629               -250.816
 CID3   Fr= 1--      -1.670                  1.418                -13.881
 RC180  Fr= 1--      -0.155                  0.690                 -0.764
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.02   0.01
     2   6    -0.02   0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.08  -0.02   0.01    -0.04  -0.01  -0.00    -0.00  -0.00  -0.00
     4   6     0.43   0.11   0.12     0.22   0.06   0.08    -0.00   0.00  -0.00
     5   6    -0.40  -0.10  -0.10    -0.22  -0.07  -0.11    -0.00   0.00   0.00
     6   6     0.08  -0.06  -0.25    -0.01   0.18   0.57     0.00  -0.00  -0.00
     7   8    -0.02   0.05   0.16     0.02  -0.11  -0.36    -0.00   0.00   0.00
     8   6     0.01  -0.00   0.00     0.00  -0.00  -0.00    -0.03   0.02   0.03
     9   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.01  -0.01  -0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00   0.00   0.01    -0.00  -0.01  -0.04    -0.00   0.00   0.00
    12   1     0.00   0.01   0.02     0.00   0.00   0.00    -0.02  -0.00   0.00
    13   1     0.01   0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.01
    14   1     0.21   0.05  -0.01     0.10   0.01  -0.02     0.00   0.01   0.03
    15   1     0.02   0.01  -0.01     0.01   0.00   0.00     0.00  -0.01  -0.00
    16   1     0.03   0.06   0.04     0.00   0.01   0.00    -0.01  -0.00   0.01
    17   1     0.01   0.00   0.01     0.00   0.00   0.00     0.12  -0.07  -0.12
    18   1    -0.02  -0.02   0.02    -0.00  -0.01   0.00    -0.23   0.11  -0.14
    19   1     0.01   0.00  -0.01     0.01  -0.00  -0.00     0.13   0.20   0.14
    20   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.14   0.33  -0.28
    21   1    -0.01   0.00   0.01    -0.00   0.00  -0.00    -0.23  -0.40  -0.28
    22   1     0.02  -0.01  -0.02     0.00  -0.00   0.00     0.43  -0.20   0.27
    23   1    -0.49  -0.04   0.14    -0.25  -0.01   0.11    -0.00   0.00   0.00
    24   1     0.33  -0.00  -0.17     0.39   0.01  -0.16     0.00   0.00   0.00
    25   1     0.05  -0.02   0.09    -0.07   0.03  -0.16     0.00  -0.00  -0.00
    26   1     0.03   0.08   0.06    -0.04  -0.13  -0.10    -0.00  -0.00   0.00
    27   1    -0.07  -0.04  -0.10     0.13   0.08   0.18     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3026.2509              3029.6333              3052.0825
 Red. masses --      1.0367                 1.0378                 1.0596
 Frc consts  --      5.5939                 5.6124                 5.8155
 IR Inten    --     29.6108                 2.9150                50.3229
 RamAct Fr= 1--    259.8479               202.7899               115.2858
  Dep-P Fr= 1--      0.0274                 0.0131                 0.1219
  Dep-U Fr= 1--      0.0533                 0.0259                 0.2173
 Alpha2 Fr= 1--      5.4151                 4.3701                 1.9124
 Beta2  Fr= 1--      2.3098                 0.8768                 4.1757
 AlphaG Fr= 1--     -1.4834                 0.3220                -0.0639
 Gamma2 Fr= 1--      3.1828                 0.2336                -1.9739
 Delta2 Fr= 1--     -1.2799                -1.5552                -3.2859
 Raman1 Fr= 1--    1039.391                811.160                461.143
 ROA1   Fr= 1--     264.589                -27.345               -294.645
 CID1   Fr= 1--       0.255                 -0.034                 -0.639
 Raman2 Fr= 1--      27.718                 10.521                 50.108
 ROA2   Fr= 1--      86.626                 18.047                -21.086
 CID2   Fr= 1--       3.125                  1.715                 -0.421
 Raman3 Fr= 1--      55.436                 21.043                100.216
 ROA3   Fr= 1--     264.589                -27.345               -294.645
 CID3   Fr= 1--       4.773                 -1.299                 -2.940
 RC180  Fr= 1--      -0.893                 -0.948                 -0.565
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.04  -0.02     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.02
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   6    -0.01   0.01   0.01     0.00  -0.00   0.00     0.00   0.00   0.00
     9   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.04  -0.01  -0.05
    10   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01   0.00
    11   6    -0.00  -0.00   0.00    -0.02  -0.02  -0.04    -0.00  -0.00   0.00
    12   1    -0.07  -0.01   0.00    -0.00  -0.00   0.00     0.67   0.09  -0.01
    13   1     0.03  -0.01  -0.06     0.00  -0.00  -0.00    -0.26   0.08   0.62
    14   1     0.00   0.01   0.06     0.00  -0.00  -0.00     0.01   0.06   0.26
    15   1     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.05  -0.08  -0.04
    16   1    -0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.01  -0.00   0.01
    17   1    -0.24   0.14   0.25    -0.00   0.00   0.00    -0.01   0.00   0.01
    18   1     0.46  -0.22   0.28     0.00  -0.00   0.00     0.03  -0.02   0.02
    19   1    -0.25  -0.41  -0.28    -0.00  -0.00  -0.00    -0.02  -0.03  -0.02
    20   1     0.07   0.17  -0.15     0.00   0.00  -0.00     0.01   0.02  -0.02
    21   1    -0.11  -0.19  -0.14    -0.00  -0.00  -0.00    -0.02  -0.03  -0.02
    22   1     0.21  -0.09   0.13     0.00  -0.00  -0.00     0.00  -0.00   0.00
    23   1     0.00  -0.00  -0.01     0.00   0.00   0.00     0.00  -0.01  -0.03
    24   1     0.00   0.00  -0.00    -0.00  -0.01  -0.02     0.00  -0.00  -0.01
    25   1    -0.00   0.00   0.00    -0.10   0.62   0.21    -0.00   0.00   0.00
    26   1    -0.00   0.00  -0.00     0.08  -0.39   0.52    -0.00   0.00  -0.00
    27   1     0.00  -0.00  -0.00     0.30  -0.02  -0.22     0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3055.7039              3069.7934              3077.9218
 Red. masses --      1.0813                 1.0623                 1.1017
 Frc consts  --      5.9484                 5.8980                 6.1493
 IR Inten    --     14.0343                27.1131                 1.9370
 RamAct Fr= 1--     75.3246               220.9554                11.4837
  Dep-P Fr= 1--      0.2519                 0.0271                 0.6335
  Dep-U Fr= 1--      0.4024                 0.0527                 0.7756
 Alpha2 Fr= 1--      0.8881                 4.6080                 0.0243
 Beta2  Fr= 1--      5.0516                 1.9420                 1.4845
 AlphaG Fr= 1--     -0.4595                 1.1588                 0.0665
 Gamma2 Fr= 1--      8.4266                -5.8095                 3.7946
 Delta2 Fr= 1--     -2.3397                -7.7060                 0.8404
 Raman1 Fr= 1--     301.298                883.822                 45.935
 ROA1   Fr= 1--     734.084               -804.304                391.176
 CID1   Fr= 1--       2.436                 -0.910                  8.516
 Raman2 Fr= 1--      60.619                 23.304                 17.814
 ROA2   Fr= 1--     220.956                -77.781                 84.348
 CID2   Fr= 1--       3.645                 -3.338                  4.735
 Raman3 Fr= 1--     121.237                 46.607                 35.629
 ROA3   Fr= 1--     734.084               -804.304                391.176
 CID3   Fr= 1--       6.055                -17.257                 10.979
 RC180  Fr= 1--      -0.195                 -0.895                  0.551
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.06  -0.02  -0.04
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.02  -0.07     0.00   0.01   0.02     0.00   0.00   0.00
     4   6    -0.00   0.00   0.01     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   6     0.01  -0.00   0.00    -0.00   0.01  -0.01     0.04   0.01   0.04
     9   6     0.01   0.00   0.01     0.00  -0.00  -0.01    -0.00   0.00   0.00
    10   6    -0.00  -0.02   0.01     0.00  -0.06   0.02     0.00  -0.00  -0.00
    11   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.18  -0.03   0.00     0.05   0.00  -0.00     0.04   0.01   0.00
    13   1     0.06  -0.02  -0.13    -0.06   0.02   0.16     0.01  -0.00  -0.03
    14   1     0.06   0.20   0.88    -0.02  -0.06  -0.26    -0.00  -0.01  -0.05
    15   1    -0.10   0.14   0.07    -0.37   0.51   0.24    -0.03   0.04   0.02
    16   1     0.15   0.07  -0.20     0.37   0.18  -0.50     0.01   0.00  -0.01
    17   1     0.02  -0.01  -0.02    -0.01   0.01   0.01     0.01  -0.02  -0.04
    18   1    -0.02   0.01  -0.01     0.00  -0.00   0.00     0.44  -0.22   0.26
    19   1     0.02   0.03   0.02    -0.01  -0.02  -0.02     0.24   0.42   0.28
    20   1    -0.01  -0.01   0.01    -0.02  -0.05   0.04     0.02   0.01  -0.00
    21   1     0.00   0.00   0.00    -0.01  -0.02  -0.02    -0.17  -0.32  -0.22
    22   1    -0.06   0.03  -0.04     0.08  -0.04   0.05    -0.34   0.16  -0.20
    23   1     0.00  -0.02  -0.07    -0.00   0.00   0.00    -0.00   0.00   0.01
    24   1     0.00  -0.01  -0.02    -0.00   0.00   0.01    -0.00   0.00   0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    27   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3081.4371              3083.7010              3088.4286
 Red. masses --      1.0984                 1.1010                 1.1009
 Frc consts  --      6.1451                 6.1683                 6.1871
 IR Inten    --      8.9948                52.1863                32.8646
 RamAct Fr= 1--     59.9006               144.4008                58.4236
  Dep-P Fr= 1--      0.7484                 0.7314                 0.7295
  Dep-U Fr= 1--      0.8561                 0.8449                 0.8436
 Alpha2 Fr= 1--      0.0016                 0.0459                 0.0205
 Beta2  Fr= 1--      8.5469                20.3338                 8.2143
 AlphaG Fr= 1--     -0.0326                 0.1357                -0.0661
 Gamma2 Fr= 1--     -1.2203                -3.9877                 5.4290
 Delta2 Fr= 1--      0.8750                10.7133                -3.0757
 Raman1 Fr= 1--     239.602                577.603                233.694
 ROA1   Fr= 1--     -89.149                -39.996                422.758
 CID1   Fr= 1--      -0.372                 -0.069                  1.809
 Raman2 Fr= 1--     102.563                244.005                 98.572
 ROA2   Fr= 1--     -36.288               -181.413                154.900
 CID2   Fr= 1--      -0.354                 -0.743                  1.571
 Raman3 Fr= 1--     205.127                488.011                197.143
 ROA3   Fr= 1--     -89.149                -39.996                422.758
 CID3   Fr= 1--      -0.435                 -0.082                  2.144
 RC180  Fr= 1--       0.712                  0.690                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.04  -0.01  -0.03    -0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   6     0.00   0.00   0.00    -0.05  -0.02  -0.05    -0.01  -0.08   0.04
     9   6    -0.00  -0.00   0.00     0.01   0.00  -0.00     0.01   0.00  -0.01
    10   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.01  -0.00
    11   6     0.02  -0.09   0.03     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1     0.00   0.00  -0.00    -0.04  -0.00   0.00    -0.06  -0.01  -0.00
    13   1     0.00  -0.00  -0.00    -0.02   0.01   0.05    -0.03   0.01   0.07
    14   1    -0.00  -0.00  -0.00     0.00   0.01   0.04    -0.00  -0.01  -0.04
    15   1    -0.00   0.00   0.00     0.02  -0.03  -0.01    -0.06   0.08   0.04
    16   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.00  -0.02
    17   1    -0.00   0.00   0.00     0.02  -0.02  -0.03     0.04  -0.02  -0.04
    18   1    -0.00   0.00  -0.00     0.34  -0.17   0.21     0.00  -0.00   0.00
    19   1     0.00   0.00   0.00     0.19   0.32   0.21    -0.01  -0.01  -0.01
    20   1    -0.00  -0.00   0.00    -0.02  -0.02   0.00     0.26   0.60  -0.54
    21   1    -0.01  -0.01  -0.01     0.22   0.41   0.29     0.16   0.26   0.21
    22   1    -0.01   0.00  -0.00     0.44  -0.21   0.26    -0.28   0.11  -0.16
    23   1     0.00  -0.00   0.00    -0.00  -0.00  -0.01    -0.00   0.00   0.01
    24   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    25   1    -0.10   0.65   0.25    -0.00   0.01   0.00    -0.00   0.00   0.00
    26   1    -0.08   0.40  -0.58    -0.00   0.01  -0.01    -0.00   0.00  -0.00
    27   1     0.00  -0.02   0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3092.9883              3102.3552              3117.8925
 Red. masses --      1.1084                 1.0997                 1.1078
 Frc consts  --      6.2473                 6.2359                 6.3448
 IR Inten    --     16.8636                24.8932                39.5229
 RamAct Fr= 1--     69.6860                51.2507                93.1873
  Dep-P Fr= 1--      0.6474                 0.7428                 0.6500
  Dep-U Fr= 1--      0.7860                 0.8524                 0.7878
 Alpha2 Fr= 1--      0.1286                 0.0063                 0.1674
 Beta2  Fr= 1--      9.1284                 7.2810                12.2362
 AlphaG Fr= 1--     -0.0979                -0.0130                 0.1354
 Gamma2 Fr= 1--    -25.8615                 5.7389                25.1114
 Delta2 Fr= 1--    -14.0173                -2.8619                18.5305
 Raman1 Fr= 1--     278.744                205.003                372.749
 ROA1   Fr= 1--   -2931.260                459.353               3003.666
 CID1   Fr= 1--     -10.516                  2.241                  8.058
 Raman2 Fr= 1--     109.541                 87.372                146.834
 ROA2   Fr= 1--    -508.538                160.629                454.429
 CID2   Fr= 1--      -4.642                  1.838                  3.095
 Raman3 Fr= 1--     219.081                174.745                293.668
 ROA3   Fr= 1--   -2931.260                459.353               3003.666
 CID3   Fr= 1--     -13.380                  2.629                 10.228
 RC180  Fr= 1--       0.572                  0.705                  0.576
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01     0.05  -0.05  -0.05     0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.01
     4   6    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.01
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.01  -0.01  -0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
     9   6    -0.07  -0.00   0.05     0.01   0.00  -0.01     0.03  -0.00  -0.02
    10   6     0.02  -0.02  -0.02    -0.01   0.00   0.01     0.06  -0.02  -0.06
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   1     0.65   0.09   0.01    -0.09  -0.01  -0.00    -0.24  -0.03  -0.01
    13   1     0.22  -0.08  -0.57    -0.03   0.01   0.09    -0.10   0.04   0.27
    14   1     0.00   0.01   0.04    -0.00  -0.00  -0.01     0.01   0.01   0.06
    15   1    -0.17   0.25   0.11     0.04  -0.07  -0.03    -0.32   0.47   0.20
    16   1    -0.12  -0.06   0.16     0.04   0.02  -0.05    -0.38  -0.20   0.52
    17   1    -0.09   0.05   0.10    -0.57   0.31   0.60    -0.03   0.01   0.03
    18   1    -0.03   0.02  -0.02    -0.19   0.09  -0.14    -0.01   0.00  -0.01
    19   1     0.03   0.04   0.02     0.16   0.23   0.15     0.01   0.01   0.01
    20   1     0.02   0.04  -0.04     0.01   0.03  -0.03    -0.02  -0.05   0.05
    21   1     0.04   0.07   0.05     0.01   0.01   0.01    -0.01  -0.02  -0.02
    22   1     0.04  -0.02   0.02    -0.03   0.01  -0.01     0.01  -0.00   0.01
    23   1     0.00  -0.00  -0.01     0.01  -0.03  -0.10     0.00  -0.04  -0.11
    24   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    25   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    26   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3138.0357              3145.2780              3150.3690
 Red. masses --      1.0887                 1.1005                 1.0884
 Frc consts  --      6.3165                 6.4143                 6.3643
 IR Inten    --      1.7773                11.5884                16.1236
 RamAct Fr= 1--     54.4979                92.4439                38.8334
  Dep-P Fr= 1--      0.2211                 0.5043                 0.4042
  Dep-U Fr= 1--      0.3622                 0.6705                 0.5757
 Alpha2 Fr= 1--      0.6994                 0.4474                 0.2833
 Beta2  Fr= 1--      3.2895                10.3303                 3.7264
 AlphaG Fr= 1--     -0.1695                -0.1607                 0.2207
 Gamma2 Fr= 1--      1.7499                -0.2372                -0.4610
 Delta2 Fr= 1--      1.0926                 0.2082                -1.1505
 Raman1 Fr= 1--     217.992                369.775                155.334
 ROA1   Fr= 1--     202.957                -16.111                -81.066
 CID1   Fr= 1--       0.931                 -0.044                 -0.522
 Raman2 Fr= 1--      39.474                123.964                 44.716
 ROA2   Fr= 1--      33.258                 -7.359                 -1.859
 CID2   Fr= 1--       0.843                 -0.059                 -0.042
 Raman3 Fr= 1--      78.948                247.928                 89.433
 ROA3   Fr= 1--     202.957                -16.111                -81.066
 CID3   Fr= 1--       2.571                 -0.065                 -0.906
 RC180  Fr= 1--      -0.276                  0.341                  0.151
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.02  -0.08     0.00  -0.00  -0.00     0.00  -0.01  -0.02
     5   6     0.00   0.01   0.02    -0.00  -0.00  -0.01    -0.00  -0.02  -0.08
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00   0.00    -0.06   0.01   0.06     0.01  -0.00  -0.01
    12   1    -0.02  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.00   0.00
    13   1    -0.02   0.01   0.05    -0.00   0.00   0.00    -0.01   0.00   0.01
    14   1     0.00   0.02   0.07    -0.00   0.00   0.01    -0.00   0.01   0.05
    15   1    -0.04   0.06   0.02    -0.00   0.00   0.00    -0.01   0.01   0.00
    16   1    -0.03  -0.02   0.04    -0.00  -0.00   0.00    -0.01  -0.00   0.01
    17   1    -0.06   0.03   0.07    -0.00   0.00   0.00    -0.02   0.01   0.02
    18   1    -0.01   0.01  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1     0.01   0.02   0.01     0.00   0.00   0.00     0.00   0.01   0.00
    20   1    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23   1    -0.05   0.28   0.90    -0.00   0.01   0.04    -0.01   0.08   0.25
    24   1     0.00  -0.08  -0.26     0.00   0.05   0.15     0.00   0.28   0.90
    25   1     0.00  -0.00  -0.00     0.03  -0.23  -0.07    -0.01   0.05   0.02
    26   1    -0.00   0.00  -0.00    -0.04   0.15  -0.19     0.01  -0.03   0.04
    27   1    -0.00  -0.00   0.00     0.75  -0.03  -0.52    -0.12   0.01   0.08

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   799.028963580.371193676.58511
           X            0.99991   0.00265   0.01295
           Y           -0.00263   1.00000  -0.00120
           Z           -0.01295   0.00117   0.99992
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10840     0.02419     0.02356
 Rotational constants (GHZ):           2.25867     0.50407     0.49087
 Zero-point vibrational energy     621656.6 (Joules/Mol)
                                  148.57950 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     52.79    93.25   105.95   166.49   202.40
          (Kelvin)            218.39   314.08   352.06   376.30   392.49
                              480.36   516.50   522.32   597.19   633.58
                              700.75   846.08   889.94   902.89  1050.51
                             1188.19  1238.05  1259.88  1287.54  1335.89
                             1363.13  1375.21  1381.93  1412.24  1433.68
                             1475.97  1492.67  1508.88  1518.06  1659.86
                             1701.56  1731.66  1748.62  1774.55  1790.38
                             1815.67  1837.65  1858.09  1881.00  1926.62
                             1982.60  2003.46  2022.79  2047.94  2107.63
                             2121.25  2133.95  2137.54  2147.45  2160.81
                             2165.99  2171.47  2408.74  2534.99  4345.89
                             4354.10  4358.97  4391.27  4396.48  4416.75
                             4428.44  4433.50  4436.76  4443.56  4450.12
                             4463.60  4485.95  4514.93  4525.35  4532.68
 
 Zero-point correction=                           0.236777 (Hartree/Particle)
 Thermal correction to Energy=                    0.249324
 Thermal correction to Enthalpy=                  0.250268
 Thermal correction to Gibbs Free Energy=         0.197657
 Sum of electronic and zero-point Energies=           -465.873494
 Sum of electronic and thermal Energies=              -465.860947
 Sum of electronic and thermal Enthalpies=            -465.860003
 Sum of electronic and thermal Free Energies=         -465.912614
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.453             46.447            110.730
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.732
 Vibrational            154.676             40.486             39.030
 Vibration     1          0.594              1.982              5.430
 Vibration     2          0.597              1.971              4.305
 Vibration     3          0.599              1.966              4.054
 Vibration     4          0.608              1.936              3.171
 Vibration     5          0.615              1.913              2.795
 Vibration     6          0.619              1.901              2.650
 Vibration     7          0.646              1.813              1.973
 Vibration     8          0.660              1.772              1.768
 Vibration     9          0.669              1.743              1.651
 Vibration    10          0.676              1.723              1.578
 Vibration    11          0.715              1.608              1.241
 Vibration    12          0.734              1.557              1.126
 Vibration    13          0.737              1.548              1.109
 Vibration    14          0.778              1.438              0.909
 Vibration    15          0.800              1.382              0.825
 Vibration    16          0.843              1.279              0.691
 Vibration    17          0.945              1.057              0.471
 Vibration    18          0.978              0.993              0.419
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.121392D-90        -90.915808       -209.341385
 Total V=0       0.985665D+18         17.993730         41.432093
 Vib (Bot)       0.141790-104       -104.848355       -241.422260
 Vib (Bot)    1  0.564095D+01          0.751352          1.730052
 Vib (Bot)    2  0.318447D+01          0.503037          1.158284
 Vib (Bot)    3  0.279924D+01          0.447041          1.029349
 Vib (Bot)    4  0.176774D+01          0.247419          0.569704
 Vib (Bot)    5  0.144517D+01          0.159920          0.368229
 Vib (Bot)    6  0.133516D+01          0.125532          0.289048
 Vib (Bot)    7  0.906783D+00         -0.042497         -0.097852
 Vib (Bot)    8  0.799603D+00         -0.097126         -0.223640
 Vib (Bot)    9  0.742082D+00         -0.129548         -0.298296
 Vib (Bot)   10  0.707439D+00         -0.150311         -0.346103
 Vib (Bot)   11  0.558311D+00         -0.253124         -0.582840
 Vib (Bot)   12  0.510920D+00         -0.291647         -0.671543
 Vib (Bot)   13  0.503874D+00         -0.297678         -0.685429
 Vib (Bot)   14  0.424627D+00         -0.371992         -0.856544
 Vib (Bot)   15  0.392455D+00         -0.406210         -0.935333
 Vib (Bot)   16  0.341310D+00         -0.466851         -1.074964
 Vib (Bot)   17  0.257035D+00         -0.590007         -1.358541
 Vib (Bot)   18  0.236792D+00         -0.625634         -1.440575
 Vib (V=0)       0.115128D+05          4.061182          9.351218
 Vib (V=0)    1  0.616306D+01          0.789797          1.818574
 Vib (V=0)    2  0.372348D+01          0.570949          1.314659
 Vib (V=0)    3  0.334355D+01          0.524207          1.207032
 Vib (V=0)    4  0.233710D+01          0.368676          0.848909
 Vib (V=0)    5  0.202922D+01          0.307330          0.707654
 Vib (V=0)    6  0.192571D+01          0.284590          0.655294
 Vib (V=0)    7  0.153550D+01          0.186249          0.428854
 Vib (V=0)    8  0.144306D+01          0.159285          0.366767
 Vib (V=0)    9  0.139481D+01          0.144515          0.332758
 Vib (V=0)   10  0.136630D+01          0.135545          0.312104
 Vib (V=0)   11  0.124947D+01          0.096727          0.222722
 Vib (V=0)   12  0.121487D+01          0.084530          0.194637
 Vib (V=0)   13  0.120985D+01          0.082732          0.190497
 Vib (V=0)   14  0.115598D+01          0.062950          0.144947
 Vib (V=0)   15  0.113563D+01          0.055236          0.127185
 Vib (V=0)   16  0.110539D+01          0.043514          0.100195
 Vib (V=0)   17  0.106220D+01          0.026206          0.060341
 Vib (V=0)   18  0.105324D+01          0.022526          0.051867
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.116095D+07          6.064813         13.964748
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004807    0.000003208    0.000001796
      2        6           0.000012206    0.000002675   -0.000008426
      3        6          -0.000016537   -0.000001790    0.000008671
      4        6          -0.000000905    0.000000232   -0.000001319
      5        6          -0.000010355    0.000001729   -0.000002632
      6        6           0.000007774    0.000005198    0.000002837
      7        8           0.000001680   -0.000000345   -0.000003986
      8        6           0.000001780   -0.000002563   -0.000006244
      9        6          -0.000011527    0.000004764   -0.000000858
     10        6           0.000015185   -0.000007969    0.000002242
     11        6           0.000003111   -0.000004414   -0.000012246
     12        1          -0.000003612   -0.000001260   -0.000001459
     13        1          -0.000003177   -0.000001901    0.000000431
     14        1           0.000005451   -0.000000307    0.000002442
     15        1          -0.000000249   -0.000004247    0.000001284
     16        1           0.000000007    0.000000079   -0.000001757
     17        1           0.000000653   -0.000001257   -0.000001023
     18        1          -0.000000564    0.000001054    0.000000739
     19        1           0.000002772    0.000003426    0.000002259
     20        1          -0.000000546    0.000000310    0.000004049
     21        1          -0.000000536    0.000002522    0.000005005
     22        1          -0.000001380   -0.000000622    0.000001115
     23        1           0.000004011   -0.000002699   -0.000001481
     24        1          -0.000000966   -0.000000967    0.000002267
     25        1          -0.000000327    0.000003181    0.000003577
     26        1           0.000000452    0.000001123    0.000004088
     27        1           0.000000404    0.000000841   -0.000001372
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016537 RMS     0.000004688
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.168567D+03  0.503755D+01  0.297865D+01
      2   0.503755D+01  0.108444D+03  0.295409D+01
      3   0.297865D+01  0.295409D+01  0.112275D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.690452D+01 -0.818562D+01  0.507205D+01
      2   0.306071D+02 -0.850842D+01  0.526975D+01
      3   0.229388D+02 -0.397638D+02  0.135193D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.670171D+02 -0.251606D+02 -0.197894D+01
      2   0.618184D+02  0.355547D+01  0.845942D+01
      3   0.519869D+01  0.216052D+02 -0.648048D+01
      4  -0.366978D+02  0.938786D+02 -0.266398D+02
      5  -0.298932D+02 -0.283842D+02  0.764383D+01
      6  -0.132460D+02 -0.181586D+02 -0.110251D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.266057D+01  0.222992D+01 -0.387852D+01  0.170261D+01  0.358081D+00
      2   0.222992D+01  0.281721D+00  0.381574D+01  0.358081D+00  0.274576D+01
      3  -0.387852D+01  0.381574D+01  0.950520D-01  0.379107D+01  0.179855D+01
                 6             7             8             9            10 
      1   0.379107D+01 -0.424817D+01  0.380707D+01  0.376876D+00  0.196383D+02
      2   0.179855D+01  0.380707D+01  0.212057D+01 -0.557273D-01 -0.383833D+01
      3  -0.676790D+00  0.376876D+00 -0.557273D-01 -0.176320D+01  0.399951D+01
                11            12            13            14            15 
      1  -0.383833D+01  0.399951D+01 -0.782703D+01  0.214481D+01 -0.396072D+01
      2   0.390136D+00 -0.354023D+01  0.214481D+01 -0.425837D+01 -0.257137D+01
      3  -0.354023D+01 -0.660432D+00 -0.396072D+01 -0.257137D+01 -0.136704D+00
                16            17            18            19            20 
      1   0.155182D+02 -0.480896D+01  0.128672D+00 -0.422306D+02 -0.479901D+00
      2  -0.480896D+01 -0.255801D+01 -0.184290D+00 -0.479901D+00 -0.414263D+01
      3   0.128672D+00 -0.184290D+00  0.788432D+00 -0.226934D+01  0.102608D+01
                21            22            23            24            25 
      1  -0.226934D+01  0.462349D+01 -0.958175D+01  0.217357D+01 -0.567046D+01
      2   0.102608D+01 -0.958175D+01 -0.150878D+01 -0.100597D+01  0.200708D+01
      3  -0.272545D-02  0.217357D+01 -0.100597D+01  0.212279D+01  0.536412D-01
                26            27            28            29            30 
      1   0.200708D+01  0.536412D-01  0.625194D+02  0.376071D+01  0.925772D+00
      2  -0.115439D+01  0.216729D+01  0.376071D+01  0.350393D+01 -0.692070D+00
      3   0.216729D+01  0.441594D+01  0.925772D+00 -0.692070D+00  0.148916D+01
                31            32            33            34            35 
      1   0.107395D+02  0.682463D+01 -0.184332D+01  0.883586D+01 -0.672225D+00
      2   0.682463D+01  0.305437D+01 -0.136505D+00 -0.672225D+00  0.100370D+01
      3  -0.184332D+01 -0.136505D+00 -0.122327D+01  0.164683D+01 -0.162985D+01
                36            37            38            39            40 
      1   0.164683D+01 -0.579478D+02 -0.339825D+01  0.276001D+01 -0.120198D+02
      2  -0.162985D+01 -0.339825D+01 -0.219434D+01  0.917443D+00 -0.504729D+01
      3  -0.316913D+01  0.276001D+01  0.917443D+00 -0.107260D+01  0.147440D+01
                41            42            43            44            45 
      1  -0.504729D+01  0.147440D+01 -0.108955D+02 -0.318929D+00 -0.364763D+01
      2  -0.237366D+01 -0.635231D+00 -0.318929D+00 -0.169932D+01  0.174574D+01
      3  -0.635231D+00  0.184388D+01 -0.364763D+01  0.174574D+01  0.274220D+01
                46            47            48            49            50 
      1   0.198619D+02  0.104622D+01 -0.351443D+01 -0.440158D+01 -0.422637D+00
      2   0.104622D+01 -0.815836D+00 -0.719170D-01 -0.422637D+00 -0.613675D+00
      3  -0.351443D+01 -0.719170D-01 -0.838028D+00  0.237091D+01 -0.851970D+00
                51            52            53            54            55 
      1   0.237091D+01 -0.248369D+02  0.473662D+00  0.804785D+01 -0.493751D+01
      2  -0.851970D+00  0.473662D+00  0.144167D+00 -0.876733D+00  0.670407D+00
      3  -0.156688D+01  0.804785D+01 -0.876733D+00 -0.583480D+01  0.279840D+01
                56            57            58            59            60 
      1   0.670407D+00  0.279840D+01  0.733744D+01 -0.173098D+01 -0.244972D+01
      2  -0.358736D+00 -0.354975D+00 -0.173098D+01  0.179848D+01  0.289878D+01
      3  -0.354975D+00 -0.980086D+00 -0.244972D+01  0.289878D+01  0.158908D+01
                61            62            63            64            65 
      1   0.241583D+02 -0.196949D+00 -0.921866D+01 -0.673566D+01  0.209081D+01
      2  -0.196949D+00  0.157712D+01  0.122906D+01  0.209081D+01 -0.810424D-01
      3  -0.921866D+01  0.122906D+01  0.109432D+02 -0.277618D+01  0.394527D+01
                66            67            68            69            70 
      1  -0.277618D+01  0.247303D+01 -0.102199D+01  0.381915D+01 -0.672852D+01
      2   0.394527D+01 -0.102199D+01  0.180941D+01  0.348594D+01  0.409363D+01
      3   0.868278D+00  0.381915D+01  0.348594D+01 -0.815822D+00 -0.551467D-01
                71            72            73            74            75 
      1   0.409363D+01 -0.551467D-01 -0.634989D+01 -0.147100D+01 -0.128331D+01
      2   0.320276D+01 -0.308013D+00 -0.147100D+01  0.181536D+01 -0.375191D+00
      3  -0.308013D+00  0.138096D+01 -0.128331D+01 -0.375191D+00  0.265006D+01
                76            77            78            79            80 
      1  -0.176421D+01  0.284012D+01 -0.607502D+00  0.249970D+00 -0.202040D+00
      2   0.284012D+01  0.497136D+01  0.321844D+01 -0.202040D+00  0.276459D+01
      3  -0.607502D+00  0.321844D+01 -0.103095D+01  0.243739D+01 -0.151743D+01
                81            82            83            84            85 
      1   0.243739D+01  0.676007D+01  0.266010D+01  0.819630D+00  0.530246D+01
      2  -0.151743D+01  0.266010D+01  0.405385D+01  0.311402D+01  0.584627D+01
      3  -0.327489D+01  0.819630D+00  0.311402D+01 -0.278878D+01  0.223326D+01
                86            87            88            89            90 
      1   0.584627D+01  0.223326D+01  0.763298D+01  0.540885D+01 -0.336700D+01
      2  -0.151563D+01 -0.230636D+00  0.540885D+01 -0.271378D-01 -0.308449D+00
      3  -0.230636D+00 -0.132558D+00 -0.336700D+01 -0.308449D+00  0.775479D+00
                91            92            93            94            95 
      1   0.133648D+01 -0.131658D+01 -0.435637D+01 -0.252222D+01  0.519002D+00
      2  -0.131658D+01 -0.866098D+00 -0.107014D+01  0.519002D+00  0.403022D+01
      3  -0.435637D+01 -0.107014D+01  0.134023D+01 -0.989918D+00  0.363628D+01
                96            97            98            99           100 
      1  -0.989918D+00 -0.734605D+01 -0.111371D+01  0.338083D+01  0.114422D+02
      2   0.363628D+01 -0.111371D+01  0.297595D+01 -0.103265D+01  0.227576D+01
      3  -0.150960D+01  0.338083D+01 -0.103265D+01  0.392706D+01  0.230841D+01
               101           102           103           104           105 
      1   0.227576D+01  0.230841D+01  0.109360D+01  0.153355D+01  0.264506D+00
      2   0.180368D+01  0.570579D+00  0.153355D+01  0.603449D+00  0.157299D+00
      3   0.570579D+00  0.137401D+01  0.264506D+00  0.157299D+00  0.304528D+00
               106           107           108           109           110 
      1   0.595048D+00  0.221858D+00  0.127375D+01 -0.312338D+00  0.424376D+00
      2   0.221858D+00 -0.231586D+00  0.556362D+00  0.424376D+00 -0.872054D+00
      3   0.127375D+01  0.556362D+00  0.111951D+01  0.107550D+01 -0.238620D+00
               111           112           113           114           115 
      1   0.107550D+01  0.154680D+00 -0.219833D+00  0.460535D-01  0.931598D+00
      2  -0.238620D+00 -0.219833D+00  0.425298D+00  0.929319D+00  0.710525D-01
      3  -0.183149D+01  0.460535D-01  0.929319D+00  0.101192D+01  0.291172D-03
               116           117           118           119           120 
      1   0.710525D-01  0.291172D-03 -0.484090D+00 -0.465709D+00 -0.938011D+00
      2   0.160711D+01  0.165297D+01 -0.465709D+00  0.297610D+00 -0.127211D+00
      3   0.165297D+01  0.799772D+01 -0.938011D+00 -0.127211D+00 -0.407712D+00
               121           122           123           124           125 
      1  -0.176066D+01  0.453259D+00 -0.482668D-01 -0.106856D+01  0.359243D-01
      2   0.453259D+00 -0.512184D+00 -0.111410D+01  0.359243D-01 -0.112156D+01
      3  -0.482668D-01 -0.111410D+01 -0.124649D+01  0.907508D-01 -0.779463D+00
               126           127           128           129           130 
      1   0.907508D-01 -0.193925D+01  0.166899D+01  0.615420D-01  0.248486D+00
      2  -0.779463D+00  0.166899D+01 -0.382433D+01 -0.565236D+00 -0.178331D+01
      3  -0.737958D+01  0.615420D-01 -0.565236D+00 -0.299770D+00 -0.388951D+00
               131           132           133           134           135 
      1  -0.178331D+01 -0.388951D+00  0.185516D+00 -0.736699D+00  0.141910D+00
      2   0.828412D+01  0.748498D+00 -0.736699D+00  0.204961D+01  0.142562D+01
      3   0.748498D+00  0.959214D+00  0.141910D+00  0.142562D+01  0.586279D+00
               136           137           138           139           140 
      1   0.297086D+01  0.158263D+01 -0.189523D+01 -0.532267D-01  0.113003D+01
      2   0.158263D+01  0.153559D+01 -0.143217D+01  0.113003D+01  0.272175D+01
      3  -0.189523D+01 -0.143217D+01  0.223182D+01 -0.111658D+01 -0.167240D+01
               141           142           143           144           145 
      1  -0.111658D+01 -0.426865D+01 -0.244086D+01  0.274507D+01 -0.342340D+01
      2  -0.167240D+01 -0.244086D+01 -0.285624D+01  0.248066D+01  0.497880D+00
      3   0.140175D+01  0.274507D+01  0.248066D+01 -0.441143D+01  0.192729D+01
               146           147           148           149           150 
      1   0.497880D+00  0.192729D+01  0.154981D+01 -0.100122D+01 -0.511275D+00
      2  -0.110749D+01 -0.165145D+00 -0.100122D+01  0.693233D+00  0.251319D+00
      3  -0.165145D+00 -0.234349D+01 -0.511275D+00  0.251319D+00  0.121891D+01
               151           152           153           154           155 
      1   0.166872D+01 -0.412455D+00 -0.203078D+01  0.560399D+01 -0.279321D+01
      2  -0.412455D+00  0.686510D+00  0.721183D-01 -0.279321D+01  0.284581D+01
      3  -0.203078D+01  0.721183D-01  0.436913D+01  0.298278D+01 -0.215634D+01
               156           157           158           159           160 
      1   0.298278D+01 -0.165968D+01  0.194761D+01 -0.142262D+01  0.206120D+01
      2  -0.215634D+01  0.194761D+01 -0.290376D+01  0.148650D+01 -0.164776D+01
      3   0.273013D+01 -0.142262D+01  0.148650D+01 -0.124659D+01  0.214570D+01
               161           162           163           164           165 
      1  -0.164776D+01  0.214570D+01 -0.128986D+01 -0.171091D+01 -0.129279D-01
      2   0.140714D+01 -0.188514D+01 -0.171091D+01 -0.239257D+01 -0.586794D+00
      3  -0.188514D+01  0.326332D+01 -0.129279D-01 -0.586794D+00 -0.644052D+00
               166           167           168           169           170 
      1  -0.136149D+01 -0.144414D+01 -0.575217D+00 -0.477857D+00 -0.822844D+00
      2  -0.144414D+01 -0.643694D+01 -0.870301D+00 -0.822844D+00 -0.271259D+01
      3  -0.575217D+00 -0.870301D+00 -0.113785D+01 -0.505314D+00 -0.108289D+01
               171           172           173           174           175 
      1  -0.505314D+00  0.275402D+01  0.838475D+00 -0.131719D+01  0.200130D+01
      2  -0.108289D+01  0.838475D+00  0.710548D+00 -0.102082D+01  0.979544D+00
      3  -0.115758D+01 -0.131719D+01 -0.102082D+01  0.130824D+01 -0.181062D+01
               176           177           178           179           180 
      1   0.979544D+00 -0.181062D+01 -0.152042D+01 -0.113243D+01  0.216427D+01
      2   0.262718D+01 -0.185315D+01 -0.113243D+01 -0.181267D+01  0.156781D+01
      3  -0.185315D+01  0.249033D+01  0.216427D+01  0.156781D+01 -0.419931D+01
               181           182           183           184           185 
      1  -0.494501D+00 -0.856263D+00 -0.229344D+00 -0.132040D+01  0.203609D+00
      2  -0.856263D+00 -0.175831D+01 -0.128737D+01  0.203609D+00 -0.530312D+01
      3  -0.229344D+00 -0.128737D+01 -0.136022D+01 -0.175087D+00 -0.297153D+01
               186           187           188           189           190 
      1  -0.175087D+00 -0.210765D+00 -0.289556D+00  0.913836D-01  0.869324D+01
      2  -0.297153D+01 -0.289556D+00 -0.275166D+01 -0.235814D+01 -0.319228D+01
      3  -0.231663D+01  0.913836D-01 -0.235814D+01 -0.328298D+01  0.124342D+01
               191           192           193           194           195 
      1  -0.319228D+01  0.124342D+01 -0.281169D+01  0.248743D+01 -0.676890D+00
      2   0.198998D+01 -0.736901D+00  0.248743D+01 -0.219143D+01  0.912855D-01
      3  -0.736901D+00  0.121516D+01 -0.676890D+00  0.912855D-01 -0.492436D+00
               196           197           198           199           200 
      1   0.462751D+01 -0.171972D+01  0.139550D+01  0.139678D+01  0.559743D+00
      2  -0.171972D+01  0.978260D+00 -0.623999D+00  0.559743D+00 -0.361420D-01
      3   0.139550D+01 -0.623999D+00  0.127580D+01  0.823050D+00  0.475761D-02
               201           202           203           204           205 
      1   0.823050D+00  0.134243D+01 -0.948092D+00  0.298487D+00  0.176832D+01
      2   0.475761D-02 -0.948092D+00  0.615733D+00  0.102544D+01  0.517943D+00
      3  -0.704127D-01  0.298487D+00  0.102544D+01  0.116767D+01  0.469292D+00
               206           207           208           209           210 
      1   0.517943D+00  0.469292D+00 -0.151041D+01 -0.639432D+00 -0.126791D+01
      2   0.139462D+01  0.114620D+01 -0.639432D+00 -0.466420D-01 -0.799582D-01
      3   0.114620D+01  0.454073D+01 -0.126791D+01 -0.799582D-01  0.214997D+00
               211           212           213           214           215 
      1  -0.831358D+00  0.223953D+00 -0.726828D+00 -0.182370D+01 -0.571740D+00
      2   0.223953D+00 -0.558008D+00 -0.950899D+00 -0.571740D+00 -0.128330D+01
      3  -0.726828D+00 -0.950899D+00 -0.175227D+01 -0.108005D+01 -0.159912D+01
               216           217           218           219           220 
      1  -0.108005D+01 -0.843909D+00 -0.796839D+00  0.326356D+00 -0.304395D+01
      2  -0.159912D+01 -0.796839D+00  0.546557D+00  0.360257D+00 -0.182470D+01
      3  -0.659628D+01  0.326356D+00  0.360257D+00  0.227575D+00 -0.732272D+00
               221           222           223           224           225 
      1  -0.182470D+01 -0.732272D+00 -0.932122D+00 -0.413837D+00 -0.131141D+01
      2  -0.750435D+01 -0.269524D+01 -0.413837D+00 -0.213075D+01 -0.166932D+01
      3  -0.269524D+01 -0.188618D+01 -0.131141D+01 -0.166932D+01 -0.237110D+01
               226           227           228           229           230 
      1  -0.251089D+01  0.914162D+00 -0.697635D+00  0.240095D+01 -0.115799D+01
      2   0.914162D+00 -0.247362D+00  0.531184D+00 -0.115799D+01  0.171075D+01
      3  -0.697635D+00  0.531184D+00 -0.863495D+00  0.140227D+01 -0.233042D+01
               231           232           233           234           235 
      1   0.140227D+01 -0.312502D+01  0.431614D+00 -0.316449D+01 -0.930663D+01
      2  -0.233042D+01  0.431614D+00 -0.218667D+01  0.181499D+01 -0.261482D+00
      3   0.280933D+01 -0.316449D+01  0.181499D+01 -0.641520D+01  0.238474D+01
               236           237           238           239           240 
      1  -0.261482D+00  0.238474D+01  0.407454D+00 -0.130795D+01  0.162115D+00
      2  -0.103119D+01  0.215771D+00 -0.130795D+01 -0.411203D+00  0.162063D+00
      3   0.215771D+00 -0.158142D+01  0.162115D+00  0.162063D+00  0.251624D+00
               241           242           243 
      1   0.491946D+01  0.432031D+00 -0.220952D+01
      2   0.432031D+00  0.613753D+00  0.523938D-01
      3  -0.220952D+01  0.523938D-01  0.172968D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.532590D+01  0.872232D+01  0.636948D+01  0.828065D+01  0.934195D+01
      2  -0.727808D+01  0.192762D+01  0.764304D+01  0.557493D+01  0.194962D+01
      3  -0.331651D+01 -0.872158D+01  0.153256D+01 -0.965684D+00 -0.535632D+01
                 6             7             8             9            10 
      1  -0.128215D+01  0.627706D+01  0.584583D+01 -0.493804D+01  0.612508D+01
      2  -0.613456D+01  0.322525D+01 -0.602126D+01 -0.365194D+01  0.186087D+02
      3  -0.105523D+02  0.602391D+00 -0.116757D+02 -0.960997D+00  0.102828D+02
                11            12            13            14            15 
      1  -0.574475D+01 -0.373885D+00 -0.893485D+01 -0.534432D+01 -0.588657D+01
      2  -0.911231D+01  0.275702D+01 -0.122339D+02 -0.378225D+01 -0.703230D+00
      3  -0.279319D+01  0.762528D+01  0.752274D+01  0.106689D+02  0.104488D+02
                16            17            18            19            20 
      1   0.374456D+01  0.390677D+01 -0.501129D+00 -0.555649D+00  0.394964D+01
      2   0.252406D+01 -0.819932D-01  0.259803D+01 -0.306141D+02 -0.792432D+00
      3   0.100948D+02  0.111743D+02  0.595222D+00 -0.180490D+02 -0.458287D+01
                21            22            23            24            25 
      1  -0.138174D+01  0.142111D+02  0.418823D+01 -0.185926D+01 -0.479703D+01
      2   0.187299D+01  0.211414D+01 -0.742162D+01  0.354359D+01 -0.151606D+02
      3  -0.239052D+01  0.505327D+01 -0.690073D+01  0.312005D+01 -0.319004D+01
                26            27            28            29            30 
      1   0.531235D+01 -0.397423D+01 -0.547043D+01  0.180835D+00  0.802506D-01
      2   0.217151D+01  0.151224D+01  0.398772D+02  0.478404D+01 -0.324990D+01
      3   0.395813D-01 -0.964044D+00  0.181433D+02  0.842845D+01 -0.110364D+01
                31            32            33            34            35 
      1  -0.298615D+01 -0.286246D+01 -0.280005D+01  0.161498D+01 -0.196602D+00
      2   0.120493D+02  0.353923D+01 -0.111255D+01 -0.135820D+02 -0.117752D+01
      3   0.335051D+02  0.706307D+01  0.230172D+00 -0.111009D+01 -0.634459D+00
                36            37            38            39            40 
      1   0.331198D+01  0.404376D+01  0.109944D+01 -0.760597D+00  0.692105D+01
      2   0.146070D+01 -0.468587D+02 -0.396794D+01  0.126680D+02 -0.135207D+02
      3  -0.290091D+00 -0.148209D+02 -0.115922D+02  0.159424D+01 -0.966982D+01
                41            42            43            44            45 
      1   0.854040D+00 -0.470288D+01  0.181142D+01  0.301969D+00  0.698010D+00
      2  -0.278692D+01 -0.149090D+01 -0.134022D+02 -0.365969D+01 -0.685405D+01
      3  -0.603431D+01 -0.125138D+01  0.709509D+00  0.606157D+00  0.134799D+01
                46            47            48            49            50 
      1  -0.291502D+00 -0.239953D+01  0.234785D+01  0.538043D+01 -0.367141D+01
      2   0.137069D+02  0.367294D+01 -0.296391D+01 -0.422548D+01  0.226139D+01
      3  -0.306482D-01  0.121689D+02 -0.506086D+01  0.250021D+02  0.184577D+01
                51            52            53            54            55 
      1  -0.680562D+01  0.281098D+01 -0.409704D+01  0.212890D+01 -0.117147D+01
      2   0.647856D+01 -0.488419D+02 -0.531344D-01  0.279449D+02 -0.324156D+01
      3  -0.178660D+01 -0.572379D+01 -0.955814D+01 -0.132526D+01  0.874993D+00
                56            57            58            59            60 
      1   0.871057D+00 -0.497614D+00  0.184633D+00  0.271303D+01 -0.174258D+01
      2   0.767199D+00  0.653605D+01  0.773005D+01 -0.844514D+01 -0.821425D+01
      3  -0.724475D+01  0.159033D+00 -0.685030D+01  0.577078D+01  0.773307D+01
                61            62            63            64            65 
      1  -0.172699D+01  0.897693D+01 -0.346696D+00 -0.526315D+01  0.541894D+01
      2   0.286844D+02 -0.353958D+01 -0.438283D+02 -0.155327D+02  0.157026D+02
      3   0.432111D+01  0.131155D+02  0.271720D+01 -0.127974D+01 -0.424639D+01
                66            67            68            69            70 
      1  -0.464561D+01  0.790155D+01  0.248802D+01 -0.790577D+01 -0.727819D+01
      2   0.179756D+01  0.148164D+02  0.114181D+02  0.214249D+01 -0.994158D+01
      3  -0.108694D+02  0.566878D+01 -0.622055D+01 -0.176919D+02 -0.115646D+02
                71            72            73            74            75 
      1  -0.149470D+01  0.351207D+01 -0.174755D+01  0.579198D+01 -0.483457D+01
      2   0.451871D+01  0.646703D+01  0.750817D+01  0.198149D+01  0.128522D+02
      3  -0.161823D+02  0.132542D+01 -0.224093D+01 -0.128074D+02  0.608273D+00
                76            77            78            79            80 
      1   0.248045D+01  0.144482D+01  0.424933D+01 -0.402508D+01  0.928076D+01
      2   0.407153D+00  0.608313D+01 -0.329023D+01  0.440536D+01 -0.517867D+01
      3  -0.653160D+01 -0.113693D+02 -0.119050D+02  0.198271D+01 -0.109290D+02
                81            82            83            84            85 
      1   0.202018D+01 -0.360065D+01 -0.125538D+02  0.713895D+01 -0.150894D+02
      2  -0.134153D+02  0.709108D+01  0.678951D+01 -0.255404D+01  0.820027D+01
      3   0.881580D+01  0.151774D+01 -0.729227D+01 -0.531481D+01  0.645578D+01
                86            87            88            89            90 
      1   0.964120D+00 -0.357159D+01  0.506478D+01  0.288216D+01 -0.768246D+00
      2   0.409326D+01  0.137825D+01 -0.336342D+01  0.272971D+01 -0.916034D+00
      3   0.146966D+02  0.745381D+01 -0.105461D+01  0.125560D+02 -0.855916D+01
                91            92            93            94            95 
      1  -0.677622D+00  0.217120D+01  0.116490D+01 -0.563417D+01 -0.249971D+01
      2   0.188118D+02  0.288585D+01 -0.528627D+01  0.331522D+01 -0.155527D+02
      3  -0.657122D+01 -0.104885D+02 -0.252461D+01  0.128267D+02  0.189173D+02
                96            97            98            99           100 
      1  -0.839442D+01  0.447843D+01 -0.672759D+00  0.354380D+01 -0.791790D+00
      2   0.743937D+01 -0.237869D+02  0.331836D+01 -0.139303D+02 -0.505311D+01
      3   0.207585D+02 -0.430925D+01  0.117752D+02 -0.709435D+01  0.698857D+01
               101           102           103           104           105 
      1   0.187787D+01 -0.161208D+01  0.510238D+00  0.140538D+00 -0.139647D+01
      2  -0.255815D+00  0.480939D+01 -0.599690D+00 -0.860360D+00  0.871009D+00
      3  -0.624137D+01  0.863720D+00 -0.108259D+01 -0.135162D+00  0.449399D+00
               106           107           108           109           110 
      1  -0.114388D+01  0.331314D-02 -0.770675D+00 -0.912680D+00 -0.179291D+01
      2   0.169722D+01  0.120584D+01  0.238792D+01  0.490799D+01 -0.983432D+00
      3   0.236712D+00  0.708393D+00 -0.158523D+00 -0.201198D+01  0.207551D+01
               111           112           113           114           115 
      1   0.213129D+01 -0.862212D+00 -0.921937D+00 -0.109051D+01  0.385232D+00
      2  -0.593376D+01 -0.395166D+00  0.327798D+01  0.270429D+01 -0.490200D+01
      3   0.184810D+01  0.243992D+01 -0.988762D+00 -0.220873D+01  0.156674D+01
               116           117           118           119           120 
      1   0.241520D+01 -0.776700D+01  0.128933D+01  0.377257D+00  0.230819D+00
      2   0.426323D+01  0.226642D+02 -0.243905D+01 -0.707256D+00 -0.179842D+00
      3  -0.354059D+01 -0.467922D+01  0.297565D+00 -0.125621D+01 -0.423873D+00
               121           122           123           124           125 
      1   0.712376D+00  0.166124D+01  0.645541D+00 -0.147659D+00  0.454975D+01
      2  -0.162272D+01 -0.472977D+00 -0.133485D+01 -0.409436D+01 -0.462710D+00
      3   0.232345D+01  0.312597D+00  0.597679D+00 -0.381135D+00  0.273601D+00
               126           127           128           129           130 
      1   0.379529D+01 -0.684227D+00  0.295300D+01  0.197147D+01  0.165254D+01
      2  -0.675200D+01 -0.496453D+00 -0.669226D+00  0.358485D+00 -0.149246D+01
      3   0.681717D+00 -0.882101D+01  0.921006D+01  0.124633D+01  0.850901D+01
               131           132           133           134           135 
      1  -0.485448D+01 -0.503934D+01  0.102492D+00 -0.281249D+01 -0.250057D+01
      2   0.440243D+00  0.612659D+00 -0.102306D+01  0.196736D+01  0.104887D+01
      3  -0.182431D+02 -0.204690D+01  0.259009D+01 -0.527855D+01 -0.225069D+01
               136           137           138           139           140 
      1   0.363153D+01  0.192665D+01 -0.522158D+01  0.234457D+01  0.201080D+01
      2  -0.932028D+00 -0.166817D+01  0.436583D+01 -0.201512D+01 -0.238697D+01
      3   0.395249D+01 -0.173175D+01 -0.127446D+01  0.977163D-01 -0.348359D+01
               141           142           143           144           145 
      1  -0.312504D+01 -0.485212D+01 -0.133335D+01  0.957147D+01  0.605621D+01
      2   0.249531D+01  0.314847D+00  0.305337D+01 -0.648383D+01  0.110570D+02
      3   0.618809D+00 -0.372008D+01  0.142044D+01  0.919579D+00  0.630981D+01
               146           147           148           149           150 
      1  -0.404514D+01 -0.467817D+01 -0.389165D+01  0.293071D+01  0.143487D+01
      2  -0.162385D+01 -0.527860D+01 -0.447190D+01  0.213755D+01  0.246355D+01
      3  -0.648379D+00 -0.349180D+01  0.336719D+00  0.581993D+00  0.815260D+00
               151           152           153           154           155 
      1  -0.507028D+01  0.343672D+01  0.776958D+01  0.178688D+01  0.373704D+00
      2  -0.826899D+01  0.108425D+01  0.901417D+01 -0.251153D+01 -0.840540D+00
      3  -0.332915D+01  0.117653D+01  0.411481D+01 -0.473581D+01 -0.240914D+01
               156           157           158           159           160 
      1   0.297549D+01 -0.738101D-01 -0.127409D+01 -0.195396D+01  0.149154D+01
      2   0.312321D+01  0.165167D+01  0.252956D+00 -0.580993D+00 -0.158119D+01
      3  -0.690760D+00  0.204676D+01  0.255409D+01  0.268416D+00 -0.256236D+01
               161           162           163           164           165 
      1  -0.125697D+00  0.406574D+01 -0.239715D+01 -0.426857D+01 -0.333206D+01
      2  -0.853117D+00  0.377422D+01  0.194065D+01  0.154146D+01  0.277060D+00
      3   0.915891D-01 -0.332133D+00  0.786378D+01  0.630891D+01  0.139592D+01
               166           167           168           169           170 
      1  -0.325194D+01 -0.972569D+01 -0.570717D+01 -0.240608D+01 -0.386162D+01
      2   0.994334D+00  0.173326D+01  0.822568D-01 -0.125407D+01 -0.690969D-01
      3   0.757033D+01  0.138391D+02  0.262746D+01  0.363842D+01  0.629218D+01
               171           172           173           174           175 
      1  -0.469877D+01 -0.251636D+01 -0.249615D+01  0.247242D+01 -0.261604D+01
      2  -0.400020D+00 -0.131446D+01 -0.239015D+01  0.403528D+01 -0.260046D+01
      3   0.313728D+01 -0.430601D+01 -0.426367D+01  0.473596D+01 -0.330361D+01
               176           177           178           179           180 
      1  -0.731850D+01  0.380122D+01  0.354600D+01  0.628033D+01 -0.577650D+01
      2  -0.538777D+01  0.695498D+01  0.331002D+01  0.417354D+01 -0.118266D+02
      3  -0.111210D+02  0.760101D+01  0.465898D+01  0.796355D+01 -0.700627D+01
               181           182           183           184           185 
      1   0.702630D+00  0.812371D+00 -0.888432D+00 -0.132318D-01  0.277306D+01
      2  -0.268912D+01 -0.517408D+01 -0.370000D+01 -0.322177D+01 -0.102927D+02
      3   0.493615D+01  0.580631D+01  0.448639D+01  0.328333D+01  0.171952D+02
               186           187           188           189           190 
      1  -0.182850D+01  0.559376D+00  0.174620D+01 -0.260046D+01  0.482691D+01
      2  -0.804023D+01 -0.185147D+01 -0.835761D+01 -0.104465D+02  0.119415D+02
      3   0.102587D+02  0.250442D+01  0.989577D+01  0.812697D+01  0.203287D+00
               191           192           193           194           195 
      1  -0.270354D+01  0.322173D+01 -0.310544D+01  0.188479D+01 -0.185117D+01
      2  -0.574384D+01  0.818473D+01 -0.502391D+01  0.246728D+01 -0.338915D+01
      3  -0.573807D+01  0.118568D+01 -0.330773D+01  0.539521D+01  0.527814D+00
               196           197           198           199           200 
      1   0.294201D+01 -0.405676D+00  0.252940D+01  0.292883D+00 -0.545802D+00
      2   0.684523D+01 -0.328094D+01  0.654766D+01  0.453876D+00  0.173569D+00
      3   0.177945D+01 -0.232082D+01  0.545237D+00  0.101469D+01  0.131687D+00
               201           202           203           204           205 
      1   0.867746D-01 -0.478492D+01  0.440446D-01 -0.119223D+01  0.797278D+00
      2  -0.501495D+00 -0.171043D+01 -0.178514D+01 -0.879842D-01 -0.417800D+01
      3   0.497583D+00  0.135787D+01  0.311057D+00  0.813330D+00  0.185797D+01
               206           207           208           209           210 
      1   0.286922D+01 -0.349551D+01  0.160667D+01  0.130113D-01  0.923690D-01
      2   0.591473D+00 -0.275201D+01  0.127367D+01 -0.419806D+00 -0.993584D+00
      3   0.158183D+01 -0.101676D-01 -0.288582D+01 -0.624949D+00 -0.132475D+00
               211           212           213           214           215 
      1  -0.596231D+01  0.531418D+00 -0.608009D-01  0.213689D+01  0.432871D+01
      2   0.150111D+01  0.195438D+01  0.272374D+01 -0.291002D+01  0.242010D+01
      3   0.954466D+01 -0.190382D+00 -0.168458D+01 -0.305207D+01 -0.303302D+01
               216           217           218           219           220 
      1   0.493076D+00 -0.312992D-01 -0.639592D+00 -0.222429D+00  0.192519D+01
      2   0.107407D+02 -0.596133D+00 -0.191706D+01  0.547671D+00 -0.835205D+00
      3  -0.328506D+01 -0.812490D+00  0.316884D+01  0.230893D+01 -0.628543D+01
               221           222           223           224           225 
      1   0.576965D+01 -0.141162D+00  0.218627D-01  0.197316D+01  0.592280D-01
      2   0.967718D+01  0.708141D+01  0.329901D+01  0.657437D+01  0.840812D+01
      3  -0.334295D+02 -0.127572D+02 -0.772192D+00 -0.928279D+01 -0.731737D+01
               226           227           228           229           230 
      1  -0.512725D+00  0.557971D+00 -0.778627D+00  0.227333D+01 -0.314948D+01
      2   0.611320D+00 -0.146011D+01  0.403413D+01 -0.387310D+01  0.912146D+01
      3   0.219895D+01 -0.276294D+01  0.207921D+01 -0.753971D+01  0.782989D+01
               231           232           233           234           235 
      1   0.261603D+01 -0.251824D+01  0.429544D+01 -0.470049D+01  0.158827D+01
      2  -0.116330D+02  0.886339D+01 -0.766771D+01  0.250550D+02 -0.167403D+02
      3  -0.118367D+02  0.450257D+01 -0.949281D+01  0.108020D+02  0.277869D+01
               236           237           238           239           240 
      1   0.925164D-01 -0.105639D+01  0.935484D+00  0.403053D+00 -0.548354D+00
      2  -0.102172D+01  0.109174D+02 -0.512552D+00 -0.123240D+01 -0.959526D+00
      3  -0.607667D+01 -0.367030D+00 -0.372150D+01 -0.995365D+00  0.888479D+00
               241           242           243 
      1  -0.130010D+01  0.818745D+00  0.816570D+00
      2   0.106868D+02 -0.182231D+00 -0.985632D+01
      3  -0.276509D+00  0.325748D+01  0.110413D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.702332D+01  0.642739D+01 -0.600931D+01  0.397143D+01  0.329209D+01
      2  -0.747125D+00 -0.156090D+02 -0.884025D+01 -0.120713D+02 -0.140281D+02
      3  -0.627620D+01  0.918157D+01  0.148496D+02  0.809984D+01  0.107360D+02
      4   0.142115D+02 -0.913827D+01  0.226705D+02 -0.671954D+01  0.688957D+01
      5  -0.176072D+02  0.188186D+02 -0.945130D+01  0.182931D+02  0.387763D+01
      6   0.142377D+02 -0.154430D+02  0.816812D+01 -0.110837D+02 -0.620190D+01
                 6             7             8             9            10 
      1   0.205015D+02 -0.672365D+01  0.207965D+02  0.159814D+01 -0.722037D+00
      2  -0.153705D+02 -0.948114D+01 -0.179085D+02  0.432973D+01  0.911697D+01
      3  -0.513103D+01  0.162048D+02 -0.288801D+01 -0.592787D+01 -0.839493D+01
      4  -0.623805D+01  0.232853D+02 -0.858340D+01  0.191894D+01 -0.159661D+02
      5   0.582181D+01 -0.845615D+01  0.793044D+01 -0.548223D+01  0.127649D+02
      6   0.317921D+01  0.645399D+01  0.233045D+01  0.207856D+01 -0.997785D+01
                11            12            13            14            15 
      1  -0.444411D+01  0.726196D+01 -0.821737D+01 -0.697601D+01 -0.194253D+02
      2   0.271184D+01  0.732266D+00  0.372072D+01  0.103094D+02  0.908741D+01
      3   0.173226D+01 -0.799422D+01  0.449665D+01 -0.333338D+01  0.103379D+02
      4   0.184212D+01 -0.191289D+02  0.671291D+01 -0.237947D+02 -0.749218D+01
      5  -0.163287D+02 -0.733056D+01 -0.169770D+02 -0.166755D+02  0.557314D+00
      6   0.777411D+01 -0.141373D+01 -0.130857D+01  0.738895D+00 -0.637659D+01
                16            17            18            19            20 
      1   0.526841D+01 -0.195493D+02 -0.651604D+01  0.388484D+02  0.858283D+01
      2   0.714338D+01  0.112537D+02 -0.119307D+01 -0.415853D+02 -0.116447D+02
      3  -0.124118D+02  0.829564D+01  0.770911D+01  0.273691D+01  0.306190D+01
      4  -0.273080D+02 -0.418767D+01  0.192013D+00  0.902585D+00 -0.116705D+02
      5  -0.846413D+01  0.568327D-01  0.323196D+01  0.440006D+01  0.265149D+01
      6  -0.138501D+01 -0.478277D+01 -0.374460D+00  0.671913D+01 -0.164872D+01
                21            22            23            24            25 
      1   0.215088D+01  0.185980D+02  0.455622D+01  0.564743D+01  0.135992D+01
      2  -0.207937D+01 -0.186826D+02 -0.126408D+02  0.148518D+01 -0.530654D+01
      3  -0.715106D-01  0.846022D-01  0.808456D+01 -0.713262D+01  0.394661D+01
      4   0.412158D+01 -0.343859D+02 -0.574179D+01 -0.364605D+01  0.100008D+02
      5   0.470739D+01  0.198053D+01  0.202870D+01  0.307797D+01  0.332959D+01
      6   0.195619D+01  0.695144D+01  0.443052D+01  0.174199D+01  0.205535D+01
                26            27            28            29            30 
      1   0.728624D+01  0.154554D+02 -0.118336D+03 -0.682238D+01  0.441677D+01
      2  -0.166366D+01  0.674681D+01  0.878316D+02  0.524197D+01 -0.160348D+01
      3  -0.562258D+01 -0.222022D+02  0.305044D+02  0.158041D+01 -0.281329D+01
      4  -0.542662D+01  0.666866D+01  0.354962D+01 -0.865182D+01  0.149193D+01
      5   0.412598D+01  0.553424D+01 -0.573870D+01  0.136395D+01 -0.100843D+02
      6   0.630333D+00 -0.458682D-01 -0.134440D+02 -0.476659D+01  0.113071D+01
                31            32            33            34            35 
      1  -0.288290D+02 -0.225238D+02  0.619779D+01 -0.280439D+02  0.198932D+01
      2   0.240083D+02  0.222877D+02 -0.454179D+01  0.177023D+02 -0.280440D+01
      3   0.482070D+01  0.236155D+00 -0.165600D+01  0.103416D+02  0.815083D+00
      4  -0.290404D+01 -0.741663D+01  0.200823D+01 -0.201617D+01  0.536287D+00
      5  -0.854634D+00  0.243122D-01 -0.180167D+01  0.393317D-01  0.162188D+01
      6  -0.290102D+01 -0.684223D+01  0.424165D+01 -0.193903D+01  0.109688D+00
                36            37            38            39            40 
      1  -0.302460D+01  0.147209D+03  0.105551D+02 -0.869095D+01  0.283432D+02
      2  -0.188914D+01 -0.104876D+03 -0.689034D+01  0.601497D+01 -0.147292D+02
      3   0.491374D+01 -0.423330D+02 -0.366480D+01  0.267599D+01 -0.136140D+02
      4   0.156174D+01 -0.450152D+01  0.156653D+02 -0.146416D+01  0.302940D+02
      5   0.297860D+01 -0.966174D+01 -0.284140D+01  0.179583D+02 -0.535468D+01
      6  -0.478279D+01  0.152255D+02  0.520570D+01 -0.274886D+01  0.110292D+02
                41            42            43            44            45 
      1   0.266154D+01  0.208193D+01  0.284596D+02  0.777833D+01  0.123491D+02
      2   0.336015D+01  0.324068D+01 -0.179791D+02 -0.299351D+01 -0.810944D+00
      3  -0.602169D+01 -0.532260D+01 -0.104806D+02 -0.478482D+01 -0.115381D+02
      4   0.649903D+01  0.323391D+01 -0.267942D+01  0.323788D+01 -0.655372D+01
      5   0.345835D+01 -0.486006D+01  0.239943D+02 -0.476844D+01 -0.871077D+01
      6   0.765947D+00  0.486218D+01 -0.237048D+01  0.310667D+01 -0.554999D+01
                46            47            48            49            50 
      1  -0.659057D+02 -0.458515D+01 -0.498296D+01  0.162659D+01 -0.381531D+01
      2   0.470421D+02 -0.169625D+01 -0.606923D+00 -0.605923D+01  0.676298D+01
      3   0.188636D+02  0.628140D+01  0.558988D+01  0.443265D+01 -0.294767D+01
      4  -0.384124D+01 -0.141664D+02 -0.304326D+01 -0.813162D+00  0.179250D+01
      5   0.630345D+01 -0.235612D+00 -0.122174D+02 -0.185773D+02  0.591203D+01
      6  -0.106317D+02 -0.203618D+01 -0.148181D-01  0.182322D+01 -0.465644D+01
                51            52            53            54            55 
      1  -0.573083D+01  0.442320D+02 -0.256449D+01 -0.125875D+02  0.281844D+02
      2   0.756576D+01 -0.423432D+02 -0.175330D+01  0.187492D+02 -0.164813D+02
      3  -0.183492D+01 -0.188877D+01  0.431778D+01 -0.616170D+01 -0.117031D+02
      4   0.729721D+01 -0.208299D+02  0.784951D+01  0.943621D+01 -0.770947D+01
      5   0.777133D+01 -0.543365D+02  0.472044D+01  0.435542D+02 -0.211908D+02
      6   0.323813D+01  0.120247D+02 -0.581068D+01 -0.624331D+01  0.161817D+01
                56            57            58            59            60 
      1  -0.346400D+01 -0.122331D+02 -0.206187D+02 -0.152382D+01  0.165608D+01
      2   0.289182D+01  0.813453D+01  0.132908D+02  0.175055D+01 -0.230224D+01
      3   0.572181D+00  0.409855D+01  0.732792D+01 -0.226726D+00  0.646159D+00
      4   0.120303D+02  0.402917D+01  0.213007D+02 -0.138693D+02 -0.202628D+02
      5   0.315434D+01  0.192941D+02  0.148906D+02 -0.198736D+02 -0.114369D+02
      6  -0.133984D+01 -0.135912D+01 -0.980226D+01  0.758080D+01  0.133496D+02
                61            62            63            64            65 
      1  -0.655538D+02 -0.366740D+01 -0.138464D+01 -0.293477D+02  0.198184D+02
      2   0.515669D+02  0.269809D+01 -0.291148D+02  0.644456D+01 -0.411196D+01
      3   0.139869D+02  0.969305D+00  0.304994D+02  0.229031D+02 -0.157065D+02
      4   0.120527D+02 -0.170977D+02 -0.142545D+02  0.202725D+02 -0.614957D+01
      5   0.615378D+02 -0.882499D+01 -0.753255D+02 -0.163703D+02  0.224798D+02
      6  -0.105485D+02  0.143432D+02  0.815774D+01  0.811396D+01 -0.100962D+02
                66            67            68            69            70 
      1  -0.117664D+02  0.148307D+02  0.491497D+01  0.327109D+02 -0.212102D+02
      2  -0.940742D+00  0.970202D+00 -0.394084D+00 -0.244287D+02  0.136298D+01
      3   0.127072D+02 -0.158009D+02 -0.452088D+01 -0.828226D+01  0.198472D+02
      4   0.274622D+02 -0.111917D+02  0.708942D+01  0.121043D+02  0.328456D+02
      5   0.555864D+01  0.229748D+02  0.173936D+02 -0.122692D+02  0.316642D+01
      6  -0.815020D+01 -0.567537D+01 -0.104954D+02 -0.895384D+01 -0.691675D+01
                71            72            73            74            75 
      1   0.342077D+02  0.301350D+01 -0.482072D+02 -0.142552D+02 -0.122005D+02
      2  -0.244334D+02  0.126420D+01  0.202414D+02  0.777648D+01 -0.328415D+01
      3  -0.977439D+01 -0.427770D+01  0.279658D+02  0.647874D+01  0.154847D+02
      4   0.882134D+01 -0.603952D+01 -0.199133D+02  0.188436D+01 -0.266600D+01
      5  -0.984892D+01  0.704716D+01 -0.142194D+02 -0.324773D+01  0.102555D+02
      6  -0.875160D+01 -0.314320D+00 -0.236042D+01 -0.226664D+01  0.630538D+01
                76            77            78            79            80 
      1  -0.132126D+02  0.108439D+02 -0.367745D+01 -0.281396D+01 -0.223854D+01
      2   0.104295D+02 -0.554011D+01  0.989240D+01 -0.578638D+01  0.749779D+01
      3   0.278308D+01 -0.530376D+01 -0.621496D+01  0.860034D+01 -0.525925D+01
      4   0.114956D+02  0.258030D+02  0.136994D+02  0.469091D+00  0.691968D+01
      5  -0.418048D+01  0.215063D+02 -0.468860D+01  0.131048D+02 -0.496921D+01
      6   0.371714D+01  0.102800D+02  0.153691D+01  0.572977D+01 -0.529463D+00
                81            82            83            84            85 
      1   0.218795D+02 -0.911051D+01 -0.953055D+01 -0.898967D+01 -0.112181D+02
      2  -0.166876D+01  0.158418D+02  0.239178D+02  0.136602D+02  0.228328D+02
      3  -0.202107D+02 -0.673126D+01 -0.143872D+02 -0.467050D+01 -0.116148D+02
      4  -0.174454D+01  0.925764D+01  0.961621D+01  0.112914D+02  0.201440D+02
      5  -0.108386D+02  0.308654D+01  0.119039D+02 -0.149833D+02  0.114193D+02
      6  -0.857311D+01  0.176785D+01  0.128796D+02 -0.126111D+02  0.557811D+01
                86            87            88            89            90 
      1   0.112249D+02  0.970759D+01 -0.240776D+02  0.110227D+02 -0.910257D+01
      2  -0.111637D+02 -0.866831D+01  0.281105D+02 -0.902985D+01  0.513330D+01
      3  -0.612548D-01 -0.103927D+01 -0.403285D+01 -0.199288D+01  0.396927D+01
      4   0.986782D+01  0.551265D+01  0.208597D+02  0.128638D+02 -0.955569D+01
      5  -0.202718D+01 -0.164072D+01 -0.195950D+02 -0.506569D+01  0.630002D+01
      6  -0.684387D+01 -0.333103D+01 -0.162609D+02 -0.535723D+01  0.744137D+01
                91            92            93            94            95 
      1  -0.191665D+02  0.645802D+01  0.371935D+02  0.171650D+02  0.109990D+02
      2   0.787635D+01 -0.168198D+01 -0.173074D+02 -0.139803D+02 -0.984295D+01
      3   0.112902D+02 -0.477605D+01 -0.198861D+02 -0.318461D+01 -0.115605D+01
      4   0.115471D+02  0.111677D+02  0.108969D+02 -0.553016D+01 -0.298060D+02
      5   0.421388D+02  0.100539D+02 -0.478210D+01  0.119795D+02 -0.275939D+02
      6   0.590755D+01  0.405463D+01  0.227101D+01 -0.312155D+01 -0.976809D+01
                96            97            98            99           100 
      1   0.989254D+01  0.538398D+02  0.979999D+01 -0.196907D+02  0.859532D+02
      2  -0.155216D+02 -0.247633D+02 -0.123089D+02  0.148746D+02 -0.426961D+02
      3   0.562902D+01 -0.290765D+02  0.250893D+01  0.481606D+01 -0.432572D+02
      4  -0.295349D+02  0.121652D+02 -0.227308D+02  0.108421D+02  0.330366D+02
      5   0.171287D+02 -0.238319D+02  0.113694D+02 -0.296707D+02  0.259632D+02
      6  -0.898437D+01  0.296829D+01 -0.573698D+01  0.552299D+01  0.693566D+01
               101           102           103           104           105 
      1   0.140030D+02  0.135488D+02  0.657011D+01  0.827590D+01  0.111579D+01
      2  -0.406143D+01 -0.836145D+01 -0.375287D+00 -0.342113D+00 -0.103885D+01
      3  -0.994162D+01 -0.518732D+01 -0.619482D+01 -0.793379D+01 -0.769431D-01
      4   0.183208D+02  0.712549D+01  0.157740D+02  0.710098D+01  0.231680D+01
      5   0.600582D+01  0.143592D+02  0.302109D+01  0.197219D+01  0.217941D+01
      6   0.406450D+01  0.366530D+01  0.316118D+01  0.640483D+00  0.233552D+01
               106           107           108           109           110 
      1   0.365901D+01  0.114109D+01  0.634998D+01  0.663888D+00  0.463328D+01
      2  -0.357560D+01 -0.228617D+01 -0.592114D+01 -0.303785D+01 -0.289675D+01
      3  -0.834168D-01  0.114508D+01 -0.428836D+00  0.237396D+01 -0.173653D+01
      4   0.250925D+01 -0.408419D+00  0.509734D+01  0.191901D+01 -0.187953D+01
      5   0.126660D+02  0.385996D+01  0.763802D+01  0.366192D+01  0.290183D+00
      6   0.324930D+01  0.200134D+01  0.307419D+01  0.320868D+01 -0.253811D+01
               111           112           113           114           115 
      1   0.105489D+02  0.198019D+01 -0.709128D+01 -0.358235D+01  0.680752D+01
      2  -0.686189D-01 -0.148722D+01  0.221413D+01  0.146383D+01 -0.376707D+01
      3  -0.104803D+02 -0.492979D+00  0.487715D+01  0.211852D+01 -0.304046D+01
      4   0.150323D+01  0.939546D+00  0.748153D+00  0.367153D+01  0.301500D+01
      5  -0.289758D+01  0.106485D+01  0.251931D+01  0.400031D+01  0.540534D+01
      6  -0.457505D+01 -0.838986D+00  0.427021D+01  0.912332D+01  0.754006D+00
               116           117           118           119           120 
      1  -0.558569D+01 -0.237134D+02 -0.204888D+00 -0.317271D+00 -0.285937D+01
      2   0.637231D+00 -0.123177D+02 -0.421154D+01  0.520642D-01 -0.370859D+00
      3   0.494846D+01  0.360311D+02  0.441643D+01  0.265206D+00  0.323023D+01
      4   0.693590D+01  0.656563D+01 -0.147025D+01  0.259537D+01 -0.215041D+00
      5   0.749762D+01  0.331098D+02 -0.363327D+00  0.855564D+00  0.598801D+01
      6   0.937090D+01  0.196238D+02  0.616973D+00  0.389317D+00 -0.245684D+00
               121           122           123           124           125 
      1   0.267567D+00 -0.603102D+01 -0.374196D+01 -0.218848D+01 -0.142752D+01
      2  -0.258573D+00  0.182715D+01 -0.203219D+01  0.131530D+01 -0.209221D+01
      3  -0.899383D-02  0.420387D+01  0.577414D+01  0.873185D+00  0.351973D+01
      4   0.212104D+01 -0.167315D+01 -0.178439D+01 -0.281170D+00 -0.241384D+01
      5   0.136709D+01 -0.202353D+01 -0.221525D+01  0.535415D+01 -0.171104D+01
      6  -0.162517D-01  0.117696D+01  0.615660D+01 -0.698135D+00  0.520123D+01
               126           127           128           129           130 
      1  -0.252799D+02 -0.796617D+01  0.181503D+02  0.237150D+01  0.101663D+02
      2  -0.131032D+02  0.101061D+02 -0.251207D+02 -0.324492D+01 -0.130012D+02
      3   0.383831D+02 -0.213997D+01  0.697041D+01  0.873419D+00  0.283490D+01
      4  -0.349229D+01 -0.444811D+01  0.239962D+01 -0.565226D+00  0.509361D+01
      5  -0.117766D+02  0.296145D+00 -0.127044D+01  0.144037D+01 -0.113039D+01
      6  -0.105150D+01  0.148221D+01 -0.283704D+01 -0.215229D+01 -0.133803D+01
               131           132           133           134           135 
      1  -0.357858D+02 -0.386663D+01  0.472683D+01 -0.918719D+01 -0.558669D+01
      2   0.547854D+02  0.557627D+01 -0.466881D+01  0.128426D+02  0.669466D+01
      3  -0.189996D+02 -0.170963D+01 -0.580138D-01 -0.365540D+01 -0.110797D+01
      4   0.101399D+02  0.223543D+00  0.452980D+00  0.205467D+01  0.261317D+01
      5   0.134308D+01  0.252094D+01  0.318032D+01  0.335297D+01  0.841056D+00
      6   0.512781D+01  0.759085D+01  0.266709D+00  0.102562D+02  0.379996D+01
               136           137           138           139           140 
      1   0.115895D+02  0.190118D+01 -0.269508D+01  0.257292D+01 -0.634317D+01
      2  -0.409556D+01  0.238219D+01 -0.375114D+00  0.872033D+00  0.118163D+02
      3  -0.749396D+01 -0.428337D+01  0.307019D+01 -0.344496D+01 -0.547315D+01
      4   0.177480D+02  0.144513D+02 -0.116500D+02  0.110808D+02  0.144015D+02
      5  -0.158703D+02 -0.953065D+01  0.158352D+02 -0.674339D+01 -0.985144D+01
      6  -0.100637D+02 -0.879271D+01  0.106209D+02 -0.742530D+01 -0.111452D+02
               141           142           143           144           145 
      1   0.259081D+01  0.222165D+00  0.575972D+01 -0.545195D+01 -0.739232D+01
      2  -0.473754D+01 -0.274289D+01 -0.784700D+01 -0.118948D+00 -0.372561D+01
      3   0.214673D+01  0.252073D+01  0.208728D+01  0.557090D+01  0.111179D+02
      4  -0.104396D+02 -0.173262D+02 -0.164881D+02  0.157843D+02  0.705600D+01
      5   0.812010D+01  0.186317D+02  0.135819D+02 -0.236137D+02 -0.280986D+01
      6   0.102516D+02  0.143568D+02  0.165226D+02 -0.223326D+02 -0.354087D+01
               146           147           148           149           150 
      1  -0.341626D+01  0.107917D+02  0.410124D+00 -0.203752D+01 -0.520296D+01
      2   0.572683D+01  0.365762D+01  0.382362D+01 -0.584696D+00 -0.153772D+01
      3  -0.231057D+01 -0.144493D+02 -0.423374D+01  0.262221D+01  0.674068D+01
      4  -0.787880D+00 -0.619287D+01 -0.220638D+01  0.320953D+01  0.150911D+01
      5  -0.100960D+01  0.194001D+01 -0.525805D+00 -0.786015D+00  0.230884D+01
      6  -0.225146D+01  0.539874D+01 -0.163364D+01  0.241757D+01  0.983968D+00
               151           152           153           154           155 
      1   0.886400D+01 -0.111427D+01 -0.165522D+02  0.165928D+02 -0.225482D+01
      2   0.388264D+01 -0.179917D+01 -0.839149D+01 -0.825733D+01 -0.269527D+01
      3  -0.127466D+02  0.291344D+01  0.249437D+02 -0.833545D+01  0.495010D+01
      4  -0.734382D+01  0.230989D+01  0.526278D+01 -0.283222D+02  0.219760D+02
      5   0.349153D+01 -0.100312D+01  0.380378D+01  0.253328D+02 -0.145255D+02
      6   0.324385D+01  0.398272D+01 -0.917714D+01 -0.137356D+02  0.133840D+02
               156           157           158           159           160 
      1   0.297768D+01 -0.166648D+01 -0.290247D+01  0.124867D+01  0.377644D+01
      2  -0.373153D+01 -0.222663D+01  0.923732D+01 -0.185000D+01 -0.432080D+01
      3   0.753854D+00  0.389311D+01 -0.633484D+01  0.601331D+00  0.544356D+00
      4  -0.167171D+02  0.165472D+02 -0.178462D+02  0.110008D+02 -0.141161D+02
      5   0.204715D+02 -0.985783D+01  0.100143D+02 -0.845924D+01  0.175934D+02
      6  -0.132420D+02  0.987474D+01 -0.116378D+02  0.101285D+02 -0.108312D+02
               161           162           163           164           165 
      1   0.127938D+01 -0.226046D+01 -0.727344D+01 -0.115509D+02 -0.124258D+00
      2  -0.358192D-01 -0.493795D+01  0.929956D+01  0.170358D+02  0.334163D+01
      3  -0.124356D+01  0.719841D+01 -0.202612D+01 -0.548493D+01 -0.321737D+01
      4   0.110896D+02 -0.133610D+02  0.225570D+01  0.388216D+01 -0.945462D+00
      5  -0.115371D+02  0.194243D+02 -0.804243D+00 -0.427992D+01  0.275318D+00
      6   0.114793D+02 -0.151276D+02 -0.898668D+00  0.103965D+00  0.250281D+01
               166           167           168           169           170 
      1  -0.712376D+01 -0.244879D+02 -0.359405D+01 -0.242126D+01 -0.102540D+02
      2   0.107606D+02  0.409692D+02  0.769838D+01  0.441538D+01  0.162343D+02
      3  -0.363687D+01 -0.164813D+02 -0.410433D+01 -0.199412D+01 -0.598032D+01
      4   0.494606D+01 -0.818918D+01  0.307747D+00  0.392206D+00 -0.357598D+01
      5  -0.404802D+01 -0.515694D+01 -0.383295D+01  0.139108D+00 -0.386528D+01
      6   0.805701D+00 -0.174093D+01  0.616560D+01  0.127249D+01  0.512253D+01
               171           172           173           174           175 
      1  -0.452836D+01  0.181176D+02  0.506702D+01 -0.884257D+01  0.131397D+02
      2   0.633374D+01 -0.128463D+02 -0.541533D+01  0.983457D+01 -0.114349D+02
      3  -0.180538D+01 -0.527129D+01  0.348308D+00 -0.992001D+00 -0.170477D+01
      4  -0.827336D+00  0.342025D+01  0.658499D+01 -0.630701D+01  0.740625D+01
      5  -0.315623D+01 -0.138168D+02 -0.886036D+01  0.137009D+02 -0.156549D+02
      6   0.557264D+01 -0.187684D+01 -0.655345D+00  0.127562D+01 -0.115002D+01
               176           177           178           179           180 
      1   0.413821D+01 -0.875631D+01 -0.916665D+01 -0.611761D+01  0.566842D+01
      2  -0.646028D+01  0.130039D+02  0.124918D+02  0.999386D+01 -0.177688D+02
      3   0.232207D+01 -0.424759D+01 -0.332513D+01 -0.387626D+01  0.121004D+02
      4   0.166663D+02 -0.104305D+02 -0.677971D+01 -0.103610D+02  0.875279D+01
      5  -0.128020D+02  0.186193D+02  0.195079D+02  0.121208D+02 -0.303888D+02
      6  -0.549202D+01  0.441756D+01  0.893447D+00  0.562402D+01 -0.112746D+01
               181           182           183           184           185 
      1  -0.483990D+01 -0.131293D+02 -0.702839D+01 -0.939368D+01 -0.213928D+02
      2   0.396883D+01  0.920778D+01  0.284023D+01  0.416681D+01  0.217405D+02
      3   0.871064D+00  0.392151D+01  0.418816D+01  0.522686D+01 -0.347713D+00
      4  -0.157036D+01 -0.314614D+01 -0.424841D+01  0.657813D+01 -0.245898D+02
      5   0.223029D+01 -0.321996D+01 -0.335093D+01  0.213430D+01 -0.133782D+02
      6   0.250036D+01  0.725533D+01  0.634616D+01  0.175617D+00  0.211656D+02
               186           187           188           189           190 
      1  -0.151314D+02 -0.289270D+01 -0.155076D+02 -0.142832D+02  0.708547D+02
      2   0.952627D+01  0.201460D+01  0.892825D+01  0.292479D+01 -0.275228D+02
      3   0.560514D+01  0.878102D+00  0.657930D+01  0.113584D+02 -0.433320D+02
      4  -0.137197D+02  0.200994D-01 -0.128469D+02 -0.101347D+02 -0.388232D+02
      5  -0.105926D+02  0.379823D+01 -0.101614D+02 -0.156340D+02  0.282271D+01
      6   0.162317D+02  0.589150D+00  0.158194D+02  0.160281D+02 -0.142995D+01
               191           192           193           194           195 
      1  -0.211027D+02  0.105033D+02 -0.196418D+02  0.112658D+02 -0.527053D+01
      2   0.388752D+01 -0.219962D+01  0.210544D+01  0.951410D+00  0.141984D+01
      3   0.172151D+02 -0.830372D+01  0.175364D+02 -0.122173D+02  0.385068D+01
      4   0.222573D+02 -0.725689D+01  0.254926D+02 -0.197930D+02  0.290919D+01
      5  -0.268936D+01  0.106148D+02 -0.222532D+01 -0.286003D-01 -0.318696D+01
      6   0.414021D+00 -0.285769D+01 -0.115700D+00  0.106422D+01  0.371924D+01
               196           197           198           199           200 
      1   0.257944D+02 -0.948983D+01  0.954046D+01 -0.756043D+00 -0.778005D+00
      2  -0.810414D+01  0.182400D+01 -0.360060D+01  0.143828D+01  0.542757D+00
      3  -0.176902D+02  0.766583D+01 -0.593986D+01 -0.682237D+00  0.235248D+00
      4  -0.174565D+02  0.101509D+02 -0.637918D+01  0.379214D+00  0.117895D+01
      5   0.105645D+02 -0.373817D+01  0.961298D+01 -0.648803D+00  0.539802D+00
      6  -0.320650D+01  0.337958D+01 -0.385977D+01  0.130241D+01 -0.594827D-01
               201           202           203           204           205 
      1  -0.108710D+01 -0.174907D+01 -0.156284D+01 -0.417535D+01 -0.494928D+01
      2   0.849678D+00 -0.177155D+01  0.753186D+00  0.237636D+01  0.235433D+01
      3   0.237420D+00  0.352062D+01  0.809658D+00  0.179898D+01  0.259495D+01
      4   0.929454D+00  0.300311D+00 -0.964445D+00 -0.162243D+01  0.124293D+01
      5   0.177925D+01  0.542437D+00 -0.873684D+00 -0.739936D+00  0.145632D+01
      6   0.651120D-01 -0.111449D+01  0.340206D+01  0.352504D+01  0.117675D+01
               206           207           208           209           210 
      1  -0.520753D+01 -0.119973D+02  0.220997D+01  0.222057D+01  0.576650D+01
      2   0.368202D+01  0.148494D+01 -0.363734D+01 -0.127021D+01 -0.234220D+01
      3   0.152552D+01  0.105124D+02  0.142737D+01 -0.950360D+00 -0.342430D+01
      4  -0.123942D+01 -0.241459D+01  0.263471D+01  0.117920D+01  0.146790D+01
      5  -0.160868D+01 -0.433408D+01  0.568834D+01  0.169558D+01  0.447896D+01
      6   0.470147D+01  0.688160D+01  0.186977D+01 -0.204315D+00  0.451203D+00
               211           212           213           214           215 
      1   0.230668D+01 -0.425275D+01 -0.376976D+01  0.226192D+01 -0.405718D+01
      2  -0.379448D+01  0.460566D+00 -0.154417D+01 -0.401630D+01 -0.535669D+00
      3   0.148780D+01  0.379218D+01  0.531393D+01  0.175439D+01  0.459285D+01
      4  -0.207140D+01  0.166544D+01  0.252593D+01  0.342042D+01  0.378427D+01
      5   0.474849D+01  0.327929D+01  0.641653D+01  0.835869D+01  0.533174D+01
      6  -0.126524D+01  0.308200D+01  0.459961D+01  0.231756D+01  0.613549D+01
               216           217           218           219           220 
      1  -0.188347D+02  0.220336D+01  0.987734D+01  0.189473D+00  0.190489D+02
      2  -0.859428D+01  0.562116D+00 -0.620198D+01 -0.226747D+00 -0.558334D+01
      3   0.274290D+02 -0.276548D+01 -0.367536D+01  0.372736D-01 -0.134656D+02
      4   0.412616D+01  0.531557D+01  0.606840D+00 -0.117621D+01  0.203551D+02
      5   0.219234D+02 -0.220390D+01 -0.411257D+00  0.272410D+00  0.847848D+01
      6   0.594590D+01  0.256831D+01 -0.121890D+01 -0.141664D+01  0.454238D+01
               221           222           223           224           225 
      1  -0.972042D+01 -0.356701D+01  0.511870D+01 -0.416432D+01  0.585372D+00
      2   0.217882D+02  0.487887D+01 -0.306391D+01  0.323001D+01 -0.123073D+01
      3  -0.120678D+02 -0.131186D+01 -0.205479D+01  0.934310D+00  0.645355D+00
      4   0.588257D+02  0.217157D+02  0.414128D+01  0.168911D+02  0.125544D+02
      5   0.201892D+02  0.142714D+02  0.127143D+02  0.126651D+02  0.186730D+02
      6   0.174617D+02  0.113705D+02  0.214469D+01  0.102212D+02  0.689839D+01
               226           227           228           229           230 
      1   0.163941D+02 -0.748821D+01  0.757721D+01 -0.185342D+02  0.169496D+01
      2  -0.117648D+02  0.446839D+01 -0.593681D+01  0.118561D+02 -0.203718D+01
      3  -0.462924D+01  0.301982D+01 -0.164041D+01  0.667809D+01  0.342222D+00
      4  -0.843505D+01  0.384000D+01 -0.557762D+01  0.127586D+02 -0.155437D+02
      5   0.968877D+01 -0.640961D+01  0.121092D+02 -0.155799D+02  0.196281D+02
      6  -0.305664D+01  0.591544D+00 -0.958137D+00  0.437538D+01 -0.631061D+01
               231           232           233           234           235 
      1  -0.505200D+01  0.204274D+02 -0.785001D-01  0.936562D+01  0.981401D+02
      2   0.931752D+01 -0.165459D+02  0.532958D+01 -0.216669D+02 -0.466629D+02
      3  -0.426552D+01 -0.388145D+01 -0.525108D+01  0.123012D+02 -0.514773D+02
      4   0.206756D+02 -0.549430D+01  0.186552D+02 -0.169084D+02  0.653232D+01
      5  -0.247203D+02  0.324264D+02 -0.157445D+02  0.555940D+02 -0.200940D+02
      6   0.898960D+01 -0.264511D+01  0.730266D+01 -0.691312D+01 -0.305805D+01
               236           237           238           239           240 
      1   0.216097D+01 -0.238170D+02 -0.415092D+01  0.102833D+02 -0.776583D+00
      2   0.943011D-01  0.104688D+02  0.333555D+01 -0.338781D+01  0.979649D+00
      3  -0.225527D+01  0.133482D+02  0.815373D+00 -0.689546D+01 -0.203066D+00
      4   0.125558D+02 -0.288159D+01  0.150487D+02  0.356658D+01 -0.256242D+01
      5  -0.199862D+01  0.163336D+02 -0.118491D+01 -0.207590D+01 -0.234956D+01
      6   0.377994D-01  0.158802D+01 -0.265325D+00  0.483947D+00  0.218228D+01
               241           242           243 
      1  -0.467624D+02 -0.281951D+01  0.201387D+02
      2   0.221193D+02  0.137071D+01 -0.110578D+02
      3   0.246431D+02  0.144880D+01 -0.908095D+01
      4  -0.524145D+01 -0.674036D+01  0.289302D+00
      5   0.227904D+02 -0.350893D+00 -0.173565D+02
      6   0.234229D+01  0.177193D+01 -0.259817D+01
 Leave Link  716 at Thu Aug 12 22:27:57 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.168567D+03  0.503755D+01  0.297865D+01
      2   0.503755D+01  0.108444D+03  0.295409D+01
      3   0.297865D+01  0.295409D+01  0.112275D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.690452D+01 -0.818562D+01  0.507205D+01
      2   0.306071D+02 -0.850842D+01  0.526975D+01
      3   0.229388D+02 -0.397638D+02  0.135193D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.670171D+02 -0.251606D+02 -0.197894D+01
      2   0.618184D+02  0.355547D+01  0.845942D+01
      3   0.519869D+01  0.216052D+02 -0.648048D+01
      4  -0.366978D+02  0.938786D+02 -0.266398D+02
      5  -0.298932D+02 -0.283842D+02  0.764383D+01
      6  -0.132460D+02 -0.181586D+02 -0.110251D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.266057D+01  0.222992D+01 -0.387852D+01  0.170261D+01  0.358081D+00
      2   0.222992D+01  0.281721D+00  0.381574D+01  0.358081D+00  0.274576D+01
      3  -0.387852D+01  0.381574D+01  0.950520D-01  0.379107D+01  0.179855D+01
                 6             7             8             9            10 
      1   0.379107D+01 -0.424817D+01  0.380707D+01  0.376876D+00  0.196383D+02
      2   0.179855D+01  0.380707D+01  0.212057D+01 -0.557273D-01 -0.383833D+01
      3  -0.676790D+00  0.376876D+00 -0.557273D-01 -0.176320D+01  0.399951D+01
                11            12            13            14            15 
      1  -0.383833D+01  0.399951D+01 -0.782703D+01  0.214481D+01 -0.396072D+01
      2   0.390136D+00 -0.354023D+01  0.214481D+01 -0.425837D+01 -0.257137D+01
      3  -0.354023D+01 -0.660432D+00 -0.396072D+01 -0.257137D+01 -0.136704D+00
                16            17            18            19            20 
      1   0.155182D+02 -0.480896D+01  0.128672D+00 -0.422306D+02 -0.479901D+00
      2  -0.480896D+01 -0.255801D+01 -0.184290D+00 -0.479901D+00 -0.414263D+01
      3   0.128672D+00 -0.184290D+00  0.788432D+00 -0.226934D+01  0.102608D+01
                21            22            23            24            25 
      1  -0.226934D+01  0.462349D+01 -0.958175D+01  0.217357D+01 -0.567046D+01
      2   0.102608D+01 -0.958175D+01 -0.150878D+01 -0.100597D+01  0.200708D+01
      3  -0.272545D-02  0.217357D+01 -0.100597D+01  0.212279D+01  0.536412D-01
                26            27            28            29            30 
      1   0.200708D+01  0.536412D-01  0.625194D+02  0.376071D+01  0.925772D+00
      2  -0.115439D+01  0.216729D+01  0.376071D+01  0.350393D+01 -0.692070D+00
      3   0.216729D+01  0.441594D+01  0.925772D+00 -0.692070D+00  0.148916D+01
                31            32            33            34            35 
      1   0.107395D+02  0.682463D+01 -0.184332D+01  0.883586D+01 -0.672225D+00
      2   0.682463D+01  0.305437D+01 -0.136505D+00 -0.672225D+00  0.100370D+01
      3  -0.184332D+01 -0.136505D+00 -0.122327D+01  0.164683D+01 -0.162985D+01
                36            37            38            39            40 
      1   0.164683D+01 -0.579478D+02 -0.339825D+01  0.276001D+01 -0.120198D+02
      2  -0.162985D+01 -0.339825D+01 -0.219434D+01  0.917443D+00 -0.504729D+01
      3  -0.316913D+01  0.276001D+01  0.917443D+00 -0.107260D+01  0.147440D+01
                41            42            43            44            45 
      1  -0.504729D+01  0.147440D+01 -0.108955D+02 -0.318929D+00 -0.364763D+01
      2  -0.237366D+01 -0.635231D+00 -0.318929D+00 -0.169932D+01  0.174574D+01
      3  -0.635231D+00  0.184388D+01 -0.364763D+01  0.174574D+01  0.274220D+01
                46            47            48            49            50 
      1   0.198619D+02  0.104622D+01 -0.351443D+01 -0.440158D+01 -0.422637D+00
      2   0.104622D+01 -0.815836D+00 -0.719170D-01 -0.422637D+00 -0.613675D+00
      3  -0.351443D+01 -0.719170D-01 -0.838028D+00  0.237091D+01 -0.851970D+00
                51            52            53            54            55 
      1   0.237091D+01 -0.248369D+02  0.473662D+00  0.804785D+01 -0.493751D+01
      2  -0.851970D+00  0.473662D+00  0.144167D+00 -0.876733D+00  0.670407D+00
      3  -0.156688D+01  0.804785D+01 -0.876733D+00 -0.583480D+01  0.279840D+01
                56            57            58            59            60 
      1   0.670407D+00  0.279840D+01  0.733744D+01 -0.173098D+01 -0.244972D+01
      2  -0.358736D+00 -0.354975D+00 -0.173098D+01  0.179848D+01  0.289878D+01
      3  -0.354975D+00 -0.980086D+00 -0.244972D+01  0.289878D+01  0.158908D+01
                61            62            63            64            65 
      1   0.241583D+02 -0.196949D+00 -0.921866D+01 -0.673566D+01  0.209081D+01
      2  -0.196949D+00  0.157712D+01  0.122906D+01  0.209081D+01 -0.810424D-01
      3  -0.921866D+01  0.122906D+01  0.109432D+02 -0.277618D+01  0.394527D+01
                66            67            68            69            70 
      1  -0.277618D+01  0.247303D+01 -0.102199D+01  0.381915D+01 -0.672852D+01
      2   0.394527D+01 -0.102199D+01  0.180941D+01  0.348594D+01  0.409363D+01
      3   0.868278D+00  0.381915D+01  0.348594D+01 -0.815822D+00 -0.551467D-01
                71            72            73            74            75 
      1   0.409363D+01 -0.551467D-01 -0.634989D+01 -0.147100D+01 -0.128331D+01
      2   0.320276D+01 -0.308013D+00 -0.147100D+01  0.181536D+01 -0.375191D+00
      3  -0.308013D+00  0.138096D+01 -0.128331D+01 -0.375191D+00  0.265006D+01
                76            77            78            79            80 
      1  -0.176421D+01  0.284012D+01 -0.607502D+00  0.249970D+00 -0.202040D+00
      2   0.284012D+01  0.497136D+01  0.321844D+01 -0.202040D+00  0.276459D+01
      3  -0.607502D+00  0.321844D+01 -0.103095D+01  0.243739D+01 -0.151743D+01
                81            82            83            84            85 
      1   0.243739D+01  0.676007D+01  0.266010D+01  0.819630D+00  0.530246D+01
      2  -0.151743D+01  0.266010D+01  0.405385D+01  0.311402D+01  0.584627D+01
      3  -0.327489D+01  0.819630D+00  0.311402D+01 -0.278878D+01  0.223326D+01
                86            87            88            89            90 
      1   0.584627D+01  0.223326D+01  0.763298D+01  0.540885D+01 -0.336700D+01
      2  -0.151563D+01 -0.230636D+00  0.540885D+01 -0.271378D-01 -0.308449D+00
      3  -0.230636D+00 -0.132558D+00 -0.336700D+01 -0.308449D+00  0.775479D+00
                91            92            93            94            95 
      1   0.133648D+01 -0.131658D+01 -0.435637D+01 -0.252222D+01  0.519002D+00
      2  -0.131658D+01 -0.866098D+00 -0.107014D+01  0.519002D+00  0.403022D+01
      3  -0.435637D+01 -0.107014D+01  0.134023D+01 -0.989918D+00  0.363628D+01
                96            97            98            99           100 
      1  -0.989918D+00 -0.734605D+01 -0.111371D+01  0.338083D+01  0.114422D+02
      2   0.363628D+01 -0.111371D+01  0.297595D+01 -0.103265D+01  0.227576D+01
      3  -0.150960D+01  0.338083D+01 -0.103265D+01  0.392706D+01  0.230841D+01
               101           102           103           104           105 
      1   0.227576D+01  0.230841D+01  0.109360D+01  0.153355D+01  0.264506D+00
      2   0.180368D+01  0.570579D+00  0.153355D+01  0.603449D+00  0.157299D+00
      3   0.570579D+00  0.137401D+01  0.264506D+00  0.157299D+00  0.304528D+00
               106           107           108           109           110 
      1   0.595048D+00  0.221858D+00  0.127375D+01 -0.312338D+00  0.424376D+00
      2   0.221858D+00 -0.231586D+00  0.556362D+00  0.424376D+00 -0.872054D+00
      3   0.127375D+01  0.556362D+00  0.111951D+01  0.107550D+01 -0.238620D+00
               111           112           113           114           115 
      1   0.107550D+01  0.154680D+00 -0.219833D+00  0.460535D-01  0.931598D+00
      2  -0.238620D+00 -0.219833D+00  0.425298D+00  0.929319D+00  0.710525D-01
      3  -0.183149D+01  0.460535D-01  0.929319D+00  0.101192D+01  0.291172D-03
               116           117           118           119           120 
      1   0.710525D-01  0.291172D-03 -0.484090D+00 -0.465709D+00 -0.938011D+00
      2   0.160711D+01  0.165297D+01 -0.465709D+00  0.297610D+00 -0.127211D+00
      3   0.165297D+01  0.799772D+01 -0.938011D+00 -0.127211D+00 -0.407712D+00
               121           122           123           124           125 
      1  -0.176066D+01  0.453259D+00 -0.482668D-01 -0.106856D+01  0.359243D-01
      2   0.453259D+00 -0.512184D+00 -0.111410D+01  0.359243D-01 -0.112156D+01
      3  -0.482668D-01 -0.111410D+01 -0.124649D+01  0.907508D-01 -0.779463D+00
               126           127           128           129           130 
      1   0.907508D-01 -0.193925D+01  0.166899D+01  0.615420D-01  0.248486D+00
      2  -0.779463D+00  0.166899D+01 -0.382433D+01 -0.565236D+00 -0.178331D+01
      3  -0.737958D+01  0.615420D-01 -0.565236D+00 -0.299770D+00 -0.388951D+00
               131           132           133           134           135 
      1  -0.178331D+01 -0.388951D+00  0.185516D+00 -0.736699D+00  0.141910D+00
      2   0.828412D+01  0.748498D+00 -0.736699D+00  0.204961D+01  0.142562D+01
      3   0.748498D+00  0.959214D+00  0.141910D+00  0.142562D+01  0.586279D+00
               136           137           138           139           140 
      1   0.297086D+01  0.158263D+01 -0.189523D+01 -0.532267D-01  0.113003D+01
      2   0.158263D+01  0.153559D+01 -0.143217D+01  0.113003D+01  0.272175D+01
      3  -0.189523D+01 -0.143217D+01  0.223182D+01 -0.111658D+01 -0.167240D+01
               141           142           143           144           145 
      1  -0.111658D+01 -0.426865D+01 -0.244086D+01  0.274507D+01 -0.342340D+01
      2  -0.167240D+01 -0.244086D+01 -0.285624D+01  0.248066D+01  0.497880D+00
      3   0.140175D+01  0.274507D+01  0.248066D+01 -0.441143D+01  0.192729D+01
               146           147           148           149           150 
      1   0.497880D+00  0.192729D+01  0.154981D+01 -0.100122D+01 -0.511275D+00
      2  -0.110749D+01 -0.165145D+00 -0.100122D+01  0.693233D+00  0.251319D+00
      3  -0.165145D+00 -0.234349D+01 -0.511275D+00  0.251319D+00  0.121891D+01
               151           152           153           154           155 
      1   0.166872D+01 -0.412455D+00 -0.203078D+01  0.560399D+01 -0.279321D+01
      2  -0.412455D+00  0.686510D+00  0.721183D-01 -0.279321D+01  0.284581D+01
      3  -0.203078D+01  0.721183D-01  0.436913D+01  0.298278D+01 -0.215634D+01
               156           157           158           159           160 
      1   0.298278D+01 -0.165968D+01  0.194761D+01 -0.142262D+01  0.206120D+01
      2  -0.215634D+01  0.194761D+01 -0.290376D+01  0.148650D+01 -0.164776D+01
      3   0.273013D+01 -0.142262D+01  0.148650D+01 -0.124659D+01  0.214570D+01
               161           162           163           164           165 
      1  -0.164776D+01  0.214570D+01 -0.128986D+01 -0.171091D+01 -0.129279D-01
      2   0.140714D+01 -0.188514D+01 -0.171091D+01 -0.239257D+01 -0.586794D+00
      3  -0.188514D+01  0.326332D+01 -0.129279D-01 -0.586794D+00 -0.644052D+00
               166           167           168           169           170 
      1  -0.136149D+01 -0.144414D+01 -0.575217D+00 -0.477857D+00 -0.822844D+00
      2  -0.144414D+01 -0.643694D+01 -0.870301D+00 -0.822844D+00 -0.271259D+01
      3  -0.575217D+00 -0.870301D+00 -0.113785D+01 -0.505314D+00 -0.108289D+01
               171           172           173           174           175 
      1  -0.505314D+00  0.275402D+01  0.838475D+00 -0.131719D+01  0.200130D+01
      2  -0.108289D+01  0.838475D+00  0.710548D+00 -0.102082D+01  0.979544D+00
      3  -0.115758D+01 -0.131719D+01 -0.102082D+01  0.130824D+01 -0.181062D+01
               176           177           178           179           180 
      1   0.979544D+00 -0.181062D+01 -0.152042D+01 -0.113243D+01  0.216427D+01
      2   0.262718D+01 -0.185315D+01 -0.113243D+01 -0.181267D+01  0.156781D+01
      3  -0.185315D+01  0.249033D+01  0.216427D+01  0.156781D+01 -0.419931D+01
               181           182           183           184           185 
      1  -0.494501D+00 -0.856263D+00 -0.229344D+00 -0.132040D+01  0.203609D+00
      2  -0.856263D+00 -0.175831D+01 -0.128737D+01  0.203609D+00 -0.530312D+01
      3  -0.229344D+00 -0.128737D+01 -0.136022D+01 -0.175087D+00 -0.297153D+01
               186           187           188           189           190 
      1  -0.175087D+00 -0.210765D+00 -0.289556D+00  0.913836D-01  0.869324D+01
      2  -0.297153D+01 -0.289556D+00 -0.275166D+01 -0.235814D+01 -0.319228D+01
      3  -0.231663D+01  0.913836D-01 -0.235814D+01 -0.328298D+01  0.124342D+01
               191           192           193           194           195 
      1  -0.319228D+01  0.124342D+01 -0.281169D+01  0.248743D+01 -0.676890D+00
      2   0.198998D+01 -0.736901D+00  0.248743D+01 -0.219143D+01  0.912855D-01
      3  -0.736901D+00  0.121516D+01 -0.676890D+00  0.912855D-01 -0.492436D+00
               196           197           198           199           200 
      1   0.462751D+01 -0.171972D+01  0.139550D+01  0.139678D+01  0.559743D+00
      2  -0.171972D+01  0.978260D+00 -0.623999D+00  0.559743D+00 -0.361420D-01
      3   0.139550D+01 -0.623999D+00  0.127580D+01  0.823050D+00  0.475761D-02
               201           202           203           204           205 
      1   0.823050D+00  0.134243D+01 -0.948092D+00  0.298487D+00  0.176832D+01
      2   0.475761D-02 -0.948092D+00  0.615733D+00  0.102544D+01  0.517943D+00
      3  -0.704127D-01  0.298487D+00  0.102544D+01  0.116767D+01  0.469292D+00
               206           207           208           209           210 
      1   0.517943D+00  0.469292D+00 -0.151041D+01 -0.639432D+00 -0.126791D+01
      2   0.139462D+01  0.114620D+01 -0.639432D+00 -0.466420D-01 -0.799582D-01
      3   0.114620D+01  0.454073D+01 -0.126791D+01 -0.799582D-01  0.214997D+00
               211           212           213           214           215 
      1  -0.831358D+00  0.223953D+00 -0.726828D+00 -0.182370D+01 -0.571740D+00
      2   0.223953D+00 -0.558008D+00 -0.950899D+00 -0.571740D+00 -0.128330D+01
      3  -0.726828D+00 -0.950899D+00 -0.175227D+01 -0.108005D+01 -0.159912D+01
               216           217           218           219           220 
      1  -0.108005D+01 -0.843909D+00 -0.796839D+00  0.326356D+00 -0.304395D+01
      2  -0.159912D+01 -0.796839D+00  0.546557D+00  0.360257D+00 -0.182470D+01
      3  -0.659628D+01  0.326356D+00  0.360257D+00  0.227575D+00 -0.732272D+00
               221           222           223           224           225 
      1  -0.182470D+01 -0.732272D+00 -0.932122D+00 -0.413837D+00 -0.131141D+01
      2  -0.750435D+01 -0.269524D+01 -0.413837D+00 -0.213075D+01 -0.166932D+01
      3  -0.269524D+01 -0.188618D+01 -0.131141D+01 -0.166932D+01 -0.237110D+01
               226           227           228           229           230 
      1  -0.251089D+01  0.914162D+00 -0.697635D+00  0.240095D+01 -0.115799D+01
      2   0.914162D+00 -0.247362D+00  0.531184D+00 -0.115799D+01  0.171075D+01
      3  -0.697635D+00  0.531184D+00 -0.863495D+00  0.140227D+01 -0.233042D+01
               231           232           233           234           235 
      1   0.140227D+01 -0.312502D+01  0.431614D+00 -0.316449D+01 -0.930663D+01
      2  -0.233042D+01  0.431614D+00 -0.218667D+01  0.181499D+01 -0.261482D+00
      3   0.280933D+01 -0.316449D+01  0.181499D+01 -0.641520D+01  0.238474D+01
               236           237           238           239           240 
      1  -0.261482D+00  0.238474D+01  0.407454D+00 -0.130795D+01  0.162115D+00
      2  -0.103119D+01  0.215771D+00 -0.130795D+01 -0.411203D+00  0.162063D+00
      3   0.215771D+00 -0.158142D+01  0.162115D+00  0.162063D+00  0.251624D+00
               241           242           243 
      1   0.491946D+01  0.432031D+00 -0.220952D+01
      2   0.432031D+00  0.613753D+00  0.523938D-01
      3  -0.220952D+01  0.523938D-01  0.172968D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.532590D+01  0.872232D+01  0.636948D+01  0.828065D+01  0.934195D+01
      2  -0.727808D+01  0.192762D+01  0.764304D+01  0.557493D+01  0.194962D+01
      3  -0.331651D+01 -0.872158D+01  0.153256D+01 -0.965684D+00 -0.535632D+01
                 6             7             8             9            10 
      1  -0.128215D+01  0.627706D+01  0.584583D+01 -0.493804D+01  0.612508D+01
      2  -0.613456D+01  0.322525D+01 -0.602126D+01 -0.365194D+01  0.186087D+02
      3  -0.105523D+02  0.602391D+00 -0.116757D+02 -0.960997D+00  0.102828D+02
                11            12            13            14            15 
      1  -0.574475D+01 -0.373885D+00 -0.893485D+01 -0.534432D+01 -0.588657D+01
      2  -0.911231D+01  0.275702D+01 -0.122339D+02 -0.378225D+01 -0.703230D+00
      3  -0.279319D+01  0.762528D+01  0.752274D+01  0.106689D+02  0.104488D+02
                16            17            18            19            20 
      1   0.374456D+01  0.390677D+01 -0.501129D+00 -0.555649D+00  0.394964D+01
      2   0.252406D+01 -0.819932D-01  0.259803D+01 -0.306141D+02 -0.792432D+00
      3   0.100948D+02  0.111743D+02  0.595222D+00 -0.180490D+02 -0.458287D+01
                21            22            23            24            25 
      1  -0.138174D+01  0.142111D+02  0.418823D+01 -0.185926D+01 -0.479703D+01
      2   0.187299D+01  0.211414D+01 -0.742162D+01  0.354359D+01 -0.151606D+02
      3  -0.239052D+01  0.505327D+01 -0.690073D+01  0.312005D+01 -0.319004D+01
                26            27            28            29            30 
      1   0.531235D+01 -0.397423D+01 -0.547043D+01  0.180835D+00  0.802506D-01
      2   0.217151D+01  0.151224D+01  0.398772D+02  0.478404D+01 -0.324990D+01
      3   0.395813D-01 -0.964044D+00  0.181433D+02  0.842845D+01 -0.110364D+01
                31            32            33            34            35 
      1  -0.298615D+01 -0.286246D+01 -0.280005D+01  0.161498D+01 -0.196602D+00
      2   0.120493D+02  0.353923D+01 -0.111255D+01 -0.135820D+02 -0.117752D+01
      3   0.335051D+02  0.706307D+01  0.230172D+00 -0.111009D+01 -0.634459D+00
                36            37            38            39            40 
      1   0.331198D+01  0.404376D+01  0.109944D+01 -0.760597D+00  0.692105D+01
      2   0.146070D+01 -0.468587D+02 -0.396794D+01  0.126680D+02 -0.135207D+02
      3  -0.290091D+00 -0.148209D+02 -0.115922D+02  0.159424D+01 -0.966982D+01
                41            42            43            44            45 
      1   0.854040D+00 -0.470288D+01  0.181142D+01  0.301969D+00  0.698010D+00
      2  -0.278692D+01 -0.149090D+01 -0.134022D+02 -0.365969D+01 -0.685405D+01
      3  -0.603431D+01 -0.125138D+01  0.709509D+00  0.606157D+00  0.134799D+01
                46            47            48            49            50 
      1  -0.291502D+00 -0.239953D+01  0.234785D+01  0.538043D+01 -0.367141D+01
      2   0.137069D+02  0.367294D+01 -0.296391D+01 -0.422548D+01  0.226139D+01
      3  -0.306482D-01  0.121689D+02 -0.506086D+01  0.250021D+02  0.184577D+01
                51            52            53            54            55 
      1  -0.680562D+01  0.281098D+01 -0.409704D+01  0.212890D+01 -0.117147D+01
      2   0.647856D+01 -0.488419D+02 -0.531344D-01  0.279449D+02 -0.324156D+01
      3  -0.178660D+01 -0.572379D+01 -0.955814D+01 -0.132526D+01  0.874993D+00
                56            57            58            59            60 
      1   0.871057D+00 -0.497614D+00  0.184633D+00  0.271303D+01 -0.174258D+01
      2   0.767199D+00  0.653605D+01  0.773005D+01 -0.844514D+01 -0.821425D+01
      3  -0.724475D+01  0.159033D+00 -0.685030D+01  0.577078D+01  0.773307D+01
                61            62            63            64            65 
      1  -0.172699D+01  0.897693D+01 -0.346696D+00 -0.526315D+01  0.541894D+01
      2   0.286844D+02 -0.353958D+01 -0.438283D+02 -0.155327D+02  0.157026D+02
      3   0.432111D+01  0.131155D+02  0.271720D+01 -0.127974D+01 -0.424639D+01
                66            67            68            69            70 
      1  -0.464561D+01  0.790155D+01  0.248802D+01 -0.790577D+01 -0.727819D+01
      2   0.179756D+01  0.148164D+02  0.114181D+02  0.214249D+01 -0.994158D+01
      3  -0.108694D+02  0.566878D+01 -0.622055D+01 -0.176919D+02 -0.115646D+02
                71            72            73            74            75 
      1  -0.149470D+01  0.351207D+01 -0.174755D+01  0.579198D+01 -0.483457D+01
      2   0.451871D+01  0.646703D+01  0.750817D+01  0.198149D+01  0.128522D+02
      3  -0.161823D+02  0.132542D+01 -0.224093D+01 -0.128074D+02  0.608273D+00
                76            77            78            79            80 
      1   0.248045D+01  0.144482D+01  0.424933D+01 -0.402508D+01  0.928076D+01
      2   0.407153D+00  0.608313D+01 -0.329023D+01  0.440536D+01 -0.517867D+01
      3  -0.653160D+01 -0.113693D+02 -0.119050D+02  0.198271D+01 -0.109290D+02
                81            82            83            84            85 
      1   0.202018D+01 -0.360065D+01 -0.125538D+02  0.713895D+01 -0.150894D+02
      2  -0.134153D+02  0.709108D+01  0.678951D+01 -0.255404D+01  0.820027D+01
      3   0.881580D+01  0.151774D+01 -0.729227D+01 -0.531481D+01  0.645578D+01
                86            87            88            89            90 
      1   0.964120D+00 -0.357159D+01  0.506478D+01  0.288216D+01 -0.768246D+00
      2   0.409326D+01  0.137825D+01 -0.336342D+01  0.272971D+01 -0.916034D+00
      3   0.146966D+02  0.745381D+01 -0.105461D+01  0.125560D+02 -0.855916D+01
                91            92            93            94            95 
      1  -0.677622D+00  0.217120D+01  0.116490D+01 -0.563417D+01 -0.249971D+01
      2   0.188118D+02  0.288585D+01 -0.528627D+01  0.331522D+01 -0.155527D+02
      3  -0.657122D+01 -0.104885D+02 -0.252461D+01  0.128267D+02  0.189173D+02
                96            97            98            99           100 
      1  -0.839442D+01  0.447843D+01 -0.672759D+00  0.354380D+01 -0.791790D+00
      2   0.743937D+01 -0.237869D+02  0.331836D+01 -0.139303D+02 -0.505311D+01
      3   0.207585D+02 -0.430925D+01  0.117752D+02 -0.709435D+01  0.698857D+01
               101           102           103           104           105 
      1   0.187787D+01 -0.161208D+01  0.510238D+00  0.140538D+00 -0.139647D+01
      2  -0.255815D+00  0.480939D+01 -0.599690D+00 -0.860360D+00  0.871009D+00
      3  -0.624137D+01  0.863720D+00 -0.108259D+01 -0.135162D+00  0.449399D+00
               106           107           108           109           110 
      1  -0.114388D+01  0.331314D-02 -0.770675D+00 -0.912680D+00 -0.179291D+01
      2   0.169722D+01  0.120584D+01  0.238792D+01  0.490799D+01 -0.983432D+00
      3   0.236712D+00  0.708393D+00 -0.158523D+00 -0.201198D+01  0.207551D+01
               111           112           113           114           115 
      1   0.213129D+01 -0.862212D+00 -0.921937D+00 -0.109051D+01  0.385232D+00
      2  -0.593376D+01 -0.395166D+00  0.327798D+01  0.270429D+01 -0.490200D+01
      3   0.184810D+01  0.243992D+01 -0.988762D+00 -0.220873D+01  0.156674D+01
               116           117           118           119           120 
      1   0.241520D+01 -0.776700D+01  0.128933D+01  0.377257D+00  0.230819D+00
      2   0.426323D+01  0.226642D+02 -0.243905D+01 -0.707256D+00 -0.179842D+00
      3  -0.354059D+01 -0.467922D+01  0.297565D+00 -0.125621D+01 -0.423873D+00
               121           122           123           124           125 
      1   0.712376D+00  0.166124D+01  0.645541D+00 -0.147659D+00  0.454975D+01
      2  -0.162272D+01 -0.472977D+00 -0.133485D+01 -0.409436D+01 -0.462710D+00
      3   0.232345D+01  0.312597D+00  0.597679D+00 -0.381135D+00  0.273601D+00
               126           127           128           129           130 
      1   0.379529D+01 -0.684227D+00  0.295300D+01  0.197147D+01  0.165254D+01
      2  -0.675200D+01 -0.496453D+00 -0.669226D+00  0.358485D+00 -0.149246D+01
      3   0.681717D+00 -0.882101D+01  0.921006D+01  0.124633D+01  0.850901D+01
               131           132           133           134           135 
      1  -0.485448D+01 -0.503934D+01  0.102492D+00 -0.281249D+01 -0.250057D+01
      2   0.440243D+00  0.612659D+00 -0.102306D+01  0.196736D+01  0.104887D+01
      3  -0.182431D+02 -0.204690D+01  0.259009D+01 -0.527855D+01 -0.225069D+01
               136           137           138           139           140 
      1   0.363153D+01  0.192665D+01 -0.522158D+01  0.234457D+01  0.201080D+01
      2  -0.932028D+00 -0.166817D+01  0.436583D+01 -0.201512D+01 -0.238697D+01
      3   0.395249D+01 -0.173175D+01 -0.127446D+01  0.977163D-01 -0.348359D+01
               141           142           143           144           145 
      1  -0.312504D+01 -0.485212D+01 -0.133335D+01  0.957147D+01  0.605621D+01
      2   0.249531D+01  0.314847D+00  0.305337D+01 -0.648383D+01  0.110570D+02
      3   0.618809D+00 -0.372008D+01  0.142044D+01  0.919579D+00  0.630981D+01
               146           147           148           149           150 
      1  -0.404514D+01 -0.467817D+01 -0.389165D+01  0.293071D+01  0.143487D+01
      2  -0.162385D+01 -0.527860D+01 -0.447190D+01  0.213755D+01  0.246355D+01
      3  -0.648379D+00 -0.349180D+01  0.336719D+00  0.581993D+00  0.815260D+00
               151           152           153           154           155 
      1  -0.507028D+01  0.343672D+01  0.776958D+01  0.178688D+01  0.373704D+00
      2  -0.826899D+01  0.108425D+01  0.901417D+01 -0.251153D+01 -0.840540D+00
      3  -0.332915D+01  0.117653D+01  0.411481D+01 -0.473581D+01 -0.240914D+01
               156           157           158           159           160 
      1   0.297549D+01 -0.738101D-01 -0.127409D+01 -0.195396D+01  0.149154D+01
      2   0.312321D+01  0.165167D+01  0.252956D+00 -0.580993D+00 -0.158119D+01
      3  -0.690760D+00  0.204676D+01  0.255409D+01  0.268416D+00 -0.256236D+01
               161           162           163           164           165 
      1  -0.125697D+00  0.406574D+01 -0.239715D+01 -0.426857D+01 -0.333206D+01
      2  -0.853117D+00  0.377422D+01  0.194065D+01  0.154146D+01  0.277060D+00
      3   0.915891D-01 -0.332133D+00  0.786378D+01  0.630891D+01  0.139592D+01
               166           167           168           169           170 
      1  -0.325194D+01 -0.972569D+01 -0.570717D+01 -0.240608D+01 -0.386162D+01
      2   0.994334D+00  0.173326D+01  0.822568D-01 -0.125407D+01 -0.690969D-01
      3   0.757033D+01  0.138391D+02  0.262746D+01  0.363842D+01  0.629218D+01
               171           172           173           174           175 
      1  -0.469877D+01 -0.251636D+01 -0.249615D+01  0.247242D+01 -0.261604D+01
      2  -0.400020D+00 -0.131446D+01 -0.239015D+01  0.403528D+01 -0.260046D+01
      3   0.313728D+01 -0.430601D+01 -0.426367D+01  0.473596D+01 -0.330361D+01
               176           177           178           179           180 
      1  -0.731850D+01  0.380122D+01  0.354600D+01  0.628033D+01 -0.577650D+01
      2  -0.538777D+01  0.695498D+01  0.331002D+01  0.417354D+01 -0.118266D+02
      3  -0.111210D+02  0.760101D+01  0.465898D+01  0.796355D+01 -0.700627D+01
               181           182           183           184           185 
      1   0.702630D+00  0.812371D+00 -0.888432D+00 -0.132318D-01  0.277306D+01
      2  -0.268912D+01 -0.517408D+01 -0.370000D+01 -0.322177D+01 -0.102927D+02
      3   0.493615D+01  0.580631D+01  0.448639D+01  0.328333D+01  0.171952D+02
               186           187           188           189           190 
      1  -0.182850D+01  0.559376D+00  0.174620D+01 -0.260046D+01  0.482691D+01
      2  -0.804023D+01 -0.185147D+01 -0.835761D+01 -0.104465D+02  0.119415D+02
      3   0.102587D+02  0.250442D+01  0.989577D+01  0.812697D+01  0.203287D+00
               191           192           193           194           195 
      1  -0.270354D+01  0.322173D+01 -0.310544D+01  0.188479D+01 -0.185117D+01
      2  -0.574384D+01  0.818473D+01 -0.502391D+01  0.246728D+01 -0.338915D+01
      3  -0.573807D+01  0.118568D+01 -0.330773D+01  0.539521D+01  0.527814D+00
               196           197           198           199           200 
      1   0.294201D+01 -0.405676D+00  0.252940D+01  0.292883D+00 -0.545802D+00
      2   0.684523D+01 -0.328094D+01  0.654766D+01  0.453876D+00  0.173569D+00
      3   0.177945D+01 -0.232082D+01  0.545237D+00  0.101469D+01  0.131687D+00
               201           202           203           204           205 
      1   0.867746D-01 -0.478492D+01  0.440446D-01 -0.119223D+01  0.797278D+00
      2  -0.501495D+00 -0.171043D+01 -0.178514D+01 -0.879842D-01 -0.417800D+01
      3   0.497583D+00  0.135787D+01  0.311057D+00  0.813330D+00  0.185797D+01
               206           207           208           209           210 
      1   0.286922D+01 -0.349551D+01  0.160667D+01  0.130113D-01  0.923690D-01
      2   0.591473D+00 -0.275201D+01  0.127367D+01 -0.419806D+00 -0.993584D+00
      3   0.158183D+01 -0.101676D-01 -0.288582D+01 -0.624949D+00 -0.132475D+00
               211           212           213           214           215 
      1  -0.596231D+01  0.531418D+00 -0.608009D-01  0.213689D+01  0.432871D+01
      2   0.150111D+01  0.195438D+01  0.272374D+01 -0.291002D+01  0.242010D+01
      3   0.954466D+01 -0.190382D+00 -0.168458D+01 -0.305207D+01 -0.303302D+01
               216           217           218           219           220 
      1   0.493076D+00 -0.312992D-01 -0.639592D+00 -0.222429D+00  0.192519D+01
      2   0.107407D+02 -0.596133D+00 -0.191706D+01  0.547671D+00 -0.835205D+00
      3  -0.328506D+01 -0.812490D+00  0.316884D+01  0.230893D+01 -0.628543D+01
               221           222           223           224           225 
      1   0.576965D+01 -0.141162D+00  0.218627D-01  0.197316D+01  0.592280D-01
      2   0.967718D+01  0.708141D+01  0.329901D+01  0.657437D+01  0.840812D+01
      3  -0.334295D+02 -0.127572D+02 -0.772192D+00 -0.928279D+01 -0.731737D+01
               226           227           228           229           230 
      1  -0.512725D+00  0.557971D+00 -0.778627D+00  0.227333D+01 -0.314948D+01
      2   0.611320D+00 -0.146011D+01  0.403413D+01 -0.387310D+01  0.912146D+01
      3   0.219895D+01 -0.276294D+01  0.207921D+01 -0.753971D+01  0.782989D+01
               231           232           233           234           235 
      1   0.261603D+01 -0.251824D+01  0.429544D+01 -0.470049D+01  0.158827D+01
      2  -0.116330D+02  0.886339D+01 -0.766771D+01  0.250550D+02 -0.167403D+02
      3  -0.118367D+02  0.450257D+01 -0.949281D+01  0.108020D+02  0.277869D+01
               236           237           238           239           240 
      1   0.925164D-01 -0.105639D+01  0.935484D+00  0.403053D+00 -0.548354D+00
      2  -0.102172D+01  0.109174D+02 -0.512552D+00 -0.123240D+01 -0.959526D+00
      3  -0.607667D+01 -0.367030D+00 -0.372150D+01 -0.995365D+00  0.888479D+00
               241           242           243 
      1  -0.130010D+01  0.818745D+00  0.816570D+00
      2   0.106868D+02 -0.182231D+00 -0.985632D+01
      3  -0.276509D+00  0.325748D+01  0.110413D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.702332D+01  0.642739D+01 -0.600931D+01  0.397143D+01  0.329209D+01
      2  -0.747125D+00 -0.156090D+02 -0.884025D+01 -0.120713D+02 -0.140281D+02
      3  -0.627620D+01  0.918157D+01  0.148496D+02  0.809984D+01  0.107360D+02
      4   0.142115D+02 -0.913827D+01  0.226705D+02 -0.671954D+01  0.688957D+01
      5  -0.176072D+02  0.188186D+02 -0.945130D+01  0.182931D+02  0.387763D+01
      6   0.142377D+02 -0.154430D+02  0.816812D+01 -0.110837D+02 -0.620190D+01
                 6             7             8             9            10 
      1   0.205015D+02 -0.672365D+01  0.207965D+02  0.159814D+01 -0.722037D+00
      2  -0.153705D+02 -0.948114D+01 -0.179085D+02  0.432973D+01  0.911697D+01
      3  -0.513103D+01  0.162048D+02 -0.288801D+01 -0.592787D+01 -0.839493D+01
      4  -0.623805D+01  0.232853D+02 -0.858340D+01  0.191894D+01 -0.159661D+02
      5   0.582181D+01 -0.845615D+01  0.793044D+01 -0.548223D+01  0.127649D+02
      6   0.317921D+01  0.645399D+01  0.233045D+01  0.207856D+01 -0.997785D+01
                11            12            13            14            15 
      1  -0.444411D+01  0.726196D+01 -0.821737D+01 -0.697601D+01 -0.194253D+02
      2   0.271184D+01  0.732266D+00  0.372072D+01  0.103094D+02  0.908741D+01
      3   0.173226D+01 -0.799422D+01  0.449665D+01 -0.333338D+01  0.103379D+02
      4   0.184212D+01 -0.191289D+02  0.671291D+01 -0.237947D+02 -0.749218D+01
      5  -0.163287D+02 -0.733056D+01 -0.169770D+02 -0.166755D+02  0.557314D+00
      6   0.777411D+01 -0.141373D+01 -0.130857D+01  0.738895D+00 -0.637659D+01
                16            17            18            19            20 
      1   0.526841D+01 -0.195493D+02 -0.651604D+01  0.388484D+02  0.858283D+01
      2   0.714338D+01  0.112537D+02 -0.119307D+01 -0.415853D+02 -0.116447D+02
      3  -0.124118D+02  0.829564D+01  0.770911D+01  0.273691D+01  0.306190D+01
      4  -0.273080D+02 -0.418767D+01  0.192013D+00  0.902585D+00 -0.116705D+02
      5  -0.846413D+01  0.568327D-01  0.323196D+01  0.440006D+01  0.265149D+01
      6  -0.138501D+01 -0.478277D+01 -0.374460D+00  0.671913D+01 -0.164872D+01
                21            22            23            24            25 
      1   0.215088D+01  0.185980D+02  0.455622D+01  0.564743D+01  0.135992D+01
      2  -0.207937D+01 -0.186826D+02 -0.126408D+02  0.148518D+01 -0.530654D+01
      3  -0.715106D-01  0.846022D-01  0.808456D+01 -0.713262D+01  0.394661D+01
      4   0.412158D+01 -0.343859D+02 -0.574179D+01 -0.364605D+01  0.100008D+02
      5   0.470739D+01  0.198053D+01  0.202870D+01  0.307797D+01  0.332959D+01
      6   0.195619D+01  0.695144D+01  0.443052D+01  0.174199D+01  0.205535D+01
                26            27            28            29            30 
      1   0.728624D+01  0.154554D+02 -0.118336D+03 -0.682238D+01  0.441677D+01
      2  -0.166366D+01  0.674681D+01  0.878316D+02  0.524197D+01 -0.160348D+01
      3  -0.562258D+01 -0.222022D+02  0.305044D+02  0.158041D+01 -0.281329D+01
      4  -0.542662D+01  0.666866D+01  0.354962D+01 -0.865182D+01  0.149193D+01
      5   0.412598D+01  0.553424D+01 -0.573870D+01  0.136395D+01 -0.100843D+02
      6   0.630333D+00 -0.458682D-01 -0.134440D+02 -0.476659D+01  0.113071D+01
                31            32            33            34            35 
      1  -0.288290D+02 -0.225238D+02  0.619779D+01 -0.280439D+02  0.198932D+01
      2   0.240083D+02  0.222877D+02 -0.454179D+01  0.177023D+02 -0.280440D+01
      3   0.482070D+01  0.236155D+00 -0.165600D+01  0.103416D+02  0.815083D+00
      4  -0.290404D+01 -0.741663D+01  0.200823D+01 -0.201617D+01  0.536287D+00
      5  -0.854634D+00  0.243122D-01 -0.180167D+01  0.393317D-01  0.162188D+01
      6  -0.290102D+01 -0.684223D+01  0.424165D+01 -0.193903D+01  0.109688D+00
                36            37            38            39            40 
      1  -0.302460D+01  0.147209D+03  0.105551D+02 -0.869095D+01  0.283432D+02
      2  -0.188914D+01 -0.104876D+03 -0.689034D+01  0.601497D+01 -0.147292D+02
      3   0.491374D+01 -0.423330D+02 -0.366480D+01  0.267599D+01 -0.136140D+02
      4   0.156174D+01 -0.450152D+01  0.156653D+02 -0.146416D+01  0.302940D+02
      5   0.297860D+01 -0.966174D+01 -0.284140D+01  0.179583D+02 -0.535468D+01
      6  -0.478279D+01  0.152255D+02  0.520570D+01 -0.274886D+01  0.110292D+02
                41            42            43            44            45 
      1   0.266154D+01  0.208193D+01  0.284596D+02  0.777833D+01  0.123491D+02
      2   0.336015D+01  0.324068D+01 -0.179791D+02 -0.299351D+01 -0.810944D+00
      3  -0.602169D+01 -0.532260D+01 -0.104806D+02 -0.478482D+01 -0.115381D+02
      4   0.649903D+01  0.323391D+01 -0.267942D+01  0.323788D+01 -0.655372D+01
      5   0.345835D+01 -0.486006D+01  0.239943D+02 -0.476844D+01 -0.871077D+01
      6   0.765947D+00  0.486218D+01 -0.237048D+01  0.310667D+01 -0.554999D+01
                46            47            48            49            50 
      1  -0.659057D+02 -0.458515D+01 -0.498296D+01  0.162659D+01 -0.381531D+01
      2   0.470421D+02 -0.169625D+01 -0.606923D+00 -0.605923D+01  0.676298D+01
      3   0.188636D+02  0.628140D+01  0.558988D+01  0.443265D+01 -0.294767D+01
      4  -0.384124D+01 -0.141664D+02 -0.304326D+01 -0.813162D+00  0.179250D+01
      5   0.630345D+01 -0.235612D+00 -0.122174D+02 -0.185773D+02  0.591203D+01
      6  -0.106317D+02 -0.203618D+01 -0.148181D-01  0.182322D+01 -0.465644D+01
                51            52            53            54            55 
      1  -0.573083D+01  0.442320D+02 -0.256449D+01 -0.125875D+02  0.281844D+02
      2   0.756576D+01 -0.423432D+02 -0.175330D+01  0.187492D+02 -0.164813D+02
      3  -0.183492D+01 -0.188877D+01  0.431778D+01 -0.616170D+01 -0.117031D+02
      4   0.729721D+01 -0.208299D+02  0.784951D+01  0.943621D+01 -0.770947D+01
      5   0.777133D+01 -0.543365D+02  0.472044D+01  0.435542D+02 -0.211908D+02
      6   0.323813D+01  0.120247D+02 -0.581068D+01 -0.624331D+01  0.161817D+01
                56            57            58            59            60 
      1  -0.346400D+01 -0.122331D+02 -0.206187D+02 -0.152382D+01  0.165608D+01
      2   0.289182D+01  0.813453D+01  0.132908D+02  0.175055D+01 -0.230224D+01
      3   0.572181D+00  0.409855D+01  0.732792D+01 -0.226726D+00  0.646159D+00
      4   0.120303D+02  0.402917D+01  0.213007D+02 -0.138693D+02 -0.202628D+02
      5   0.315434D+01  0.192941D+02  0.148906D+02 -0.198736D+02 -0.114369D+02
      6  -0.133984D+01 -0.135912D+01 -0.980226D+01  0.758080D+01  0.133496D+02
                61            62            63            64            65 
      1  -0.655538D+02 -0.366740D+01 -0.138464D+01 -0.293477D+02  0.198184D+02
      2   0.515669D+02  0.269809D+01 -0.291148D+02  0.644456D+01 -0.411196D+01
      3   0.139869D+02  0.969305D+00  0.304994D+02  0.229031D+02 -0.157065D+02
      4   0.120527D+02 -0.170977D+02 -0.142545D+02  0.202725D+02 -0.614957D+01
      5   0.615378D+02 -0.882499D+01 -0.753255D+02 -0.163703D+02  0.224798D+02
      6  -0.105485D+02  0.143432D+02  0.815774D+01  0.811396D+01 -0.100962D+02
                66            67            68            69            70 
      1  -0.117664D+02  0.148307D+02  0.491497D+01  0.327109D+02 -0.212102D+02
      2  -0.940742D+00  0.970202D+00 -0.394084D+00 -0.244287D+02  0.136298D+01
      3   0.127072D+02 -0.158009D+02 -0.452088D+01 -0.828226D+01  0.198472D+02
      4   0.274622D+02 -0.111917D+02  0.708942D+01  0.121043D+02  0.328456D+02
      5   0.555864D+01  0.229748D+02  0.173936D+02 -0.122692D+02  0.316642D+01
      6  -0.815020D+01 -0.567537D+01 -0.104954D+02 -0.895384D+01 -0.691675D+01
                71            72            73            74            75 
      1   0.342077D+02  0.301350D+01 -0.482072D+02 -0.142552D+02 -0.122005D+02
      2  -0.244334D+02  0.126420D+01  0.202414D+02  0.777648D+01 -0.328415D+01
      3  -0.977439D+01 -0.427770D+01  0.279658D+02  0.647874D+01  0.154847D+02
      4   0.882134D+01 -0.603952D+01 -0.199133D+02  0.188436D+01 -0.266600D+01
      5  -0.984892D+01  0.704716D+01 -0.142194D+02 -0.324773D+01  0.102555D+02
      6  -0.875160D+01 -0.314320D+00 -0.236042D+01 -0.226664D+01  0.630538D+01
                76            77            78            79            80 
      1  -0.132126D+02  0.108439D+02 -0.367745D+01 -0.281396D+01 -0.223854D+01
      2   0.104295D+02 -0.554011D+01  0.989240D+01 -0.578638D+01  0.749779D+01
      3   0.278308D+01 -0.530376D+01 -0.621496D+01  0.860034D+01 -0.525925D+01
      4   0.114956D+02  0.258030D+02  0.136994D+02  0.469091D+00  0.691968D+01
      5  -0.418048D+01  0.215063D+02 -0.468860D+01  0.131048D+02 -0.496921D+01
      6   0.371714D+01  0.102800D+02  0.153691D+01  0.572977D+01 -0.529463D+00
                81            82            83            84            85 
      1   0.218795D+02 -0.911051D+01 -0.953055D+01 -0.898967D+01 -0.112181D+02
      2  -0.166876D+01  0.158418D+02  0.239178D+02  0.136602D+02  0.228328D+02
      3  -0.202107D+02 -0.673126D+01 -0.143872D+02 -0.467050D+01 -0.116148D+02
      4  -0.174454D+01  0.925764D+01  0.961621D+01  0.112914D+02  0.201440D+02
      5  -0.108386D+02  0.308654D+01  0.119039D+02 -0.149833D+02  0.114193D+02
      6  -0.857311D+01  0.176785D+01  0.128796D+02 -0.126111D+02  0.557811D+01
                86            87            88            89            90 
      1   0.112249D+02  0.970759D+01 -0.240776D+02  0.110227D+02 -0.910257D+01
      2  -0.111637D+02 -0.866831D+01  0.281105D+02 -0.902985D+01  0.513330D+01
      3  -0.612548D-01 -0.103927D+01 -0.403285D+01 -0.199288D+01  0.396927D+01
      4   0.986782D+01  0.551265D+01  0.208597D+02  0.128638D+02 -0.955569D+01
      5  -0.202718D+01 -0.164072D+01 -0.195950D+02 -0.506569D+01  0.630002D+01
      6  -0.684387D+01 -0.333103D+01 -0.162609D+02 -0.535723D+01  0.744137D+01
                91            92            93            94            95 
      1  -0.191665D+02  0.645802D+01  0.371935D+02  0.171650D+02  0.109990D+02
      2   0.787635D+01 -0.168198D+01 -0.173074D+02 -0.139803D+02 -0.984295D+01
      3   0.112902D+02 -0.477605D+01 -0.198861D+02 -0.318461D+01 -0.115605D+01
      4   0.115471D+02  0.111677D+02  0.108969D+02 -0.553016D+01 -0.298060D+02
      5   0.421388D+02  0.100539D+02 -0.478210D+01  0.119795D+02 -0.275939D+02
      6   0.590755D+01  0.405463D+01  0.227101D+01 -0.312155D+01 -0.976809D+01
                96            97            98            99           100 
      1   0.989254D+01  0.538398D+02  0.979999D+01 -0.196907D+02  0.859532D+02
      2  -0.155216D+02 -0.247633D+02 -0.123089D+02  0.148746D+02 -0.426961D+02
      3   0.562902D+01 -0.290765D+02  0.250893D+01  0.481606D+01 -0.432572D+02
      4  -0.295349D+02  0.121652D+02 -0.227308D+02  0.108421D+02  0.330366D+02
      5   0.171287D+02 -0.238319D+02  0.113694D+02 -0.296707D+02  0.259632D+02
      6  -0.898437D+01  0.296829D+01 -0.573698D+01  0.552299D+01  0.693566D+01
               101           102           103           104           105 
      1   0.140030D+02  0.135488D+02  0.657011D+01  0.827590D+01  0.111579D+01
      2  -0.406143D+01 -0.836145D+01 -0.375287D+00 -0.342113D+00 -0.103885D+01
      3  -0.994162D+01 -0.518732D+01 -0.619482D+01 -0.793379D+01 -0.769431D-01
      4   0.183208D+02  0.712549D+01  0.157740D+02  0.710098D+01  0.231680D+01
      5   0.600582D+01  0.143592D+02  0.302109D+01  0.197219D+01  0.217941D+01
      6   0.406450D+01  0.366530D+01  0.316118D+01  0.640483D+00  0.233552D+01
               106           107           108           109           110 
      1   0.365901D+01  0.114109D+01  0.634998D+01  0.663888D+00  0.463328D+01
      2  -0.357560D+01 -0.228617D+01 -0.592114D+01 -0.303785D+01 -0.289675D+01
      3  -0.834168D-01  0.114508D+01 -0.428836D+00  0.237396D+01 -0.173653D+01
      4   0.250925D+01 -0.408419D+00  0.509734D+01  0.191901D+01 -0.187953D+01
      5   0.126660D+02  0.385996D+01  0.763802D+01  0.366192D+01  0.290183D+00
      6   0.324930D+01  0.200134D+01  0.307419D+01  0.320868D+01 -0.253811D+01
               111           112           113           114           115 
      1   0.105489D+02  0.198019D+01 -0.709128D+01 -0.358235D+01  0.680752D+01
      2  -0.686189D-01 -0.148722D+01  0.221413D+01  0.146383D+01 -0.376707D+01
      3  -0.104803D+02 -0.492979D+00  0.487715D+01  0.211852D+01 -0.304046D+01
      4   0.150323D+01  0.939546D+00  0.748153D+00  0.367153D+01  0.301500D+01
      5  -0.289758D+01  0.106485D+01  0.251931D+01  0.400031D+01  0.540534D+01
      6  -0.457505D+01 -0.838986D+00  0.427021D+01  0.912332D+01  0.754006D+00
               116           117           118           119           120 
      1  -0.558569D+01 -0.237134D+02 -0.204888D+00 -0.317271D+00 -0.285937D+01
      2   0.637231D+00 -0.123177D+02 -0.421154D+01  0.520642D-01 -0.370859D+00
      3   0.494846D+01  0.360311D+02  0.441643D+01  0.265206D+00  0.323023D+01
      4   0.693590D+01  0.656563D+01 -0.147025D+01  0.259537D+01 -0.215041D+00
      5   0.749762D+01  0.331098D+02 -0.363327D+00  0.855564D+00  0.598801D+01
      6   0.937090D+01  0.196238D+02  0.616973D+00  0.389317D+00 -0.245684D+00
               121           122           123           124           125 
      1   0.267567D+00 -0.603102D+01 -0.374196D+01 -0.218848D+01 -0.142752D+01
      2  -0.258573D+00  0.182715D+01 -0.203219D+01  0.131530D+01 -0.209221D+01
      3  -0.899383D-02  0.420387D+01  0.577414D+01  0.873185D+00  0.351973D+01
      4   0.212104D+01 -0.167315D+01 -0.178439D+01 -0.281170D+00 -0.241384D+01
      5   0.136709D+01 -0.202353D+01 -0.221525D+01  0.535415D+01 -0.171104D+01
      6  -0.162517D-01  0.117696D+01  0.615660D+01 -0.698135D+00  0.520123D+01
               126           127           128           129           130 
      1  -0.252799D+02 -0.796617D+01  0.181503D+02  0.237150D+01  0.101663D+02
      2  -0.131032D+02  0.101061D+02 -0.251207D+02 -0.324492D+01 -0.130012D+02
      3   0.383831D+02 -0.213997D+01  0.697041D+01  0.873419D+00  0.283490D+01
      4  -0.349229D+01 -0.444811D+01  0.239962D+01 -0.565226D+00  0.509361D+01
      5  -0.117766D+02  0.296145D+00 -0.127044D+01  0.144037D+01 -0.113039D+01
      6  -0.105150D+01  0.148221D+01 -0.283704D+01 -0.215229D+01 -0.133803D+01
               131           132           133           134           135 
      1  -0.357858D+02 -0.386663D+01  0.472683D+01 -0.918719D+01 -0.558669D+01
      2   0.547854D+02  0.557627D+01 -0.466881D+01  0.128426D+02  0.669466D+01
      3  -0.189996D+02 -0.170963D+01 -0.580138D-01 -0.365540D+01 -0.110797D+01
      4   0.101399D+02  0.223543D+00  0.452980D+00  0.205467D+01  0.261317D+01
      5   0.134308D+01  0.252094D+01  0.318032D+01  0.335297D+01  0.841056D+00
      6   0.512781D+01  0.759085D+01  0.266709D+00  0.102562D+02  0.379996D+01
               136           137           138           139           140 
      1   0.115895D+02  0.190118D+01 -0.269508D+01  0.257292D+01 -0.634317D+01
      2  -0.409556D+01  0.238219D+01 -0.375114D+00  0.872033D+00  0.118163D+02
      3  -0.749396D+01 -0.428337D+01  0.307019D+01 -0.344496D+01 -0.547315D+01
      4   0.177480D+02  0.144513D+02 -0.116500D+02  0.110808D+02  0.144015D+02
      5  -0.158703D+02 -0.953065D+01  0.158352D+02 -0.674339D+01 -0.985144D+01
      6  -0.100637D+02 -0.879271D+01  0.106209D+02 -0.742530D+01 -0.111452D+02
               141           142           143           144           145 
      1   0.259081D+01  0.222165D+00  0.575972D+01 -0.545195D+01 -0.739232D+01
      2  -0.473754D+01 -0.274289D+01 -0.784700D+01 -0.118948D+00 -0.372561D+01
      3   0.214673D+01  0.252073D+01  0.208728D+01  0.557090D+01  0.111179D+02
      4  -0.104396D+02 -0.173262D+02 -0.164881D+02  0.157843D+02  0.705600D+01
      5   0.812010D+01  0.186317D+02  0.135819D+02 -0.236137D+02 -0.280986D+01
      6   0.102516D+02  0.143568D+02  0.165226D+02 -0.223326D+02 -0.354087D+01
               146           147           148           149           150 
      1  -0.341626D+01  0.107917D+02  0.410124D+00 -0.203752D+01 -0.520296D+01
      2   0.572683D+01  0.365762D+01  0.382362D+01 -0.584696D+00 -0.153772D+01
      3  -0.231057D+01 -0.144493D+02 -0.423374D+01  0.262221D+01  0.674068D+01
      4  -0.787880D+00 -0.619287D+01 -0.220638D+01  0.320953D+01  0.150911D+01
      5  -0.100960D+01  0.194001D+01 -0.525805D+00 -0.786015D+00  0.230884D+01
      6  -0.225146D+01  0.539874D+01 -0.163364D+01  0.241757D+01  0.983968D+00
               151           152           153           154           155 
      1   0.886400D+01 -0.111427D+01 -0.165522D+02  0.165928D+02 -0.225482D+01
      2   0.388264D+01 -0.179917D+01 -0.839149D+01 -0.825733D+01 -0.269527D+01
      3  -0.127466D+02  0.291344D+01  0.249437D+02 -0.833545D+01  0.495010D+01
      4  -0.734382D+01  0.230989D+01  0.526278D+01 -0.283222D+02  0.219760D+02
      5   0.349153D+01 -0.100312D+01  0.380378D+01  0.253328D+02 -0.145255D+02
      6   0.324385D+01  0.398272D+01 -0.917714D+01 -0.137356D+02  0.133840D+02
               156           157           158           159           160 
      1   0.297768D+01 -0.166648D+01 -0.290247D+01  0.124867D+01  0.377644D+01
      2  -0.373153D+01 -0.222663D+01  0.923732D+01 -0.185000D+01 -0.432080D+01
      3   0.753854D+00  0.389311D+01 -0.633484D+01  0.601331D+00  0.544356D+00
      4  -0.167171D+02  0.165472D+02 -0.178462D+02  0.110008D+02 -0.141161D+02
      5   0.204715D+02 -0.985783D+01  0.100143D+02 -0.845924D+01  0.175934D+02
      6  -0.132420D+02  0.987474D+01 -0.116378D+02  0.101285D+02 -0.108312D+02
               161           162           163           164           165 
      1   0.127938D+01 -0.226046D+01 -0.727344D+01 -0.115509D+02 -0.124258D+00
      2  -0.358192D-01 -0.493795D+01  0.929956D+01  0.170358D+02  0.334163D+01
      3  -0.124356D+01  0.719841D+01 -0.202612D+01 -0.548493D+01 -0.321737D+01
      4   0.110896D+02 -0.133610D+02  0.225570D+01  0.388216D+01 -0.945462D+00
      5  -0.115371D+02  0.194243D+02 -0.804243D+00 -0.427992D+01  0.275318D+00
      6   0.114793D+02 -0.151276D+02 -0.898668D+00  0.103965D+00  0.250281D+01
               166           167           168           169           170 
      1  -0.712376D+01 -0.244879D+02 -0.359405D+01 -0.242126D+01 -0.102540D+02
      2   0.107606D+02  0.409692D+02  0.769838D+01  0.441538D+01  0.162343D+02
      3  -0.363687D+01 -0.164813D+02 -0.410433D+01 -0.199412D+01 -0.598032D+01
      4   0.494606D+01 -0.818918D+01  0.307747D+00  0.392206D+00 -0.357598D+01
      5  -0.404802D+01 -0.515694D+01 -0.383295D+01  0.139108D+00 -0.386528D+01
      6   0.805701D+00 -0.174093D+01  0.616560D+01  0.127249D+01  0.512253D+01
               171           172           173           174           175 
      1  -0.452836D+01  0.181176D+02  0.506702D+01 -0.884257D+01  0.131397D+02
      2   0.633374D+01 -0.128463D+02 -0.541533D+01  0.983457D+01 -0.114349D+02
      3  -0.180538D+01 -0.527129D+01  0.348308D+00 -0.992001D+00 -0.170477D+01
      4  -0.827336D+00  0.342025D+01  0.658499D+01 -0.630701D+01  0.740625D+01
      5  -0.315623D+01 -0.138168D+02 -0.886036D+01  0.137009D+02 -0.156549D+02
      6   0.557264D+01 -0.187684D+01 -0.655345D+00  0.127562D+01 -0.115002D+01
               176           177           178           179           180 
      1   0.413821D+01 -0.875631D+01 -0.916665D+01 -0.611761D+01  0.566842D+01
      2  -0.646028D+01  0.130039D+02  0.124918D+02  0.999386D+01 -0.177688D+02
      3   0.232207D+01 -0.424759D+01 -0.332513D+01 -0.387626D+01  0.121004D+02
      4   0.166663D+02 -0.104305D+02 -0.677971D+01 -0.103610D+02  0.875279D+01
      5  -0.128020D+02  0.186193D+02  0.195079D+02  0.121208D+02 -0.303888D+02
      6  -0.549202D+01  0.441756D+01  0.893447D+00  0.562402D+01 -0.112746D+01
               181           182           183           184           185 
      1  -0.483990D+01 -0.131293D+02 -0.702839D+01 -0.939368D+01 -0.213928D+02
      2   0.396883D+01  0.920778D+01  0.284023D+01  0.416681D+01  0.217405D+02
      3   0.871064D+00  0.392151D+01  0.418816D+01  0.522686D+01 -0.347713D+00
      4  -0.157036D+01 -0.314614D+01 -0.424841D+01  0.657813D+01 -0.245898D+02
      5   0.223029D+01 -0.321996D+01 -0.335093D+01  0.213430D+01 -0.133782D+02
      6   0.250036D+01  0.725533D+01  0.634616D+01  0.175617D+00  0.211656D+02
               186           187           188           189           190 
      1  -0.151314D+02 -0.289270D+01 -0.155076D+02 -0.142832D+02  0.708547D+02
      2   0.952627D+01  0.201460D+01  0.892825D+01  0.292479D+01 -0.275228D+02
      3   0.560514D+01  0.878102D+00  0.657930D+01  0.113584D+02 -0.433320D+02
      4  -0.137197D+02  0.200994D-01 -0.128469D+02 -0.101347D+02 -0.388232D+02
      5  -0.105926D+02  0.379823D+01 -0.101614D+02 -0.156340D+02  0.282271D+01
      6   0.162317D+02  0.589150D+00  0.158194D+02  0.160281D+02 -0.142995D+01
               191           192           193           194           195 
      1  -0.211027D+02  0.105033D+02 -0.196418D+02  0.112658D+02 -0.527053D+01
      2   0.388752D+01 -0.219962D+01  0.210544D+01  0.951410D+00  0.141984D+01
      3   0.172151D+02 -0.830372D+01  0.175364D+02 -0.122173D+02  0.385068D+01
      4   0.222573D+02 -0.725689D+01  0.254926D+02 -0.197930D+02  0.290919D+01
      5  -0.268936D+01  0.106148D+02 -0.222532D+01 -0.286003D-01 -0.318696D+01
      6   0.414021D+00 -0.285769D+01 -0.115700D+00  0.106422D+01  0.371924D+01
               196           197           198           199           200 
      1   0.257944D+02 -0.948983D+01  0.954046D+01 -0.756043D+00 -0.778005D+00
      2  -0.810414D+01  0.182400D+01 -0.360060D+01  0.143828D+01  0.542757D+00
      3  -0.176902D+02  0.766583D+01 -0.593986D+01 -0.682237D+00  0.235248D+00
      4  -0.174565D+02  0.101509D+02 -0.637918D+01  0.379214D+00  0.117895D+01
      5   0.105645D+02 -0.373817D+01  0.961298D+01 -0.648803D+00  0.539802D+00
      6  -0.320650D+01  0.337958D+01 -0.385977D+01  0.130241D+01 -0.594827D-01
               201           202           203           204           205 
      1  -0.108710D+01 -0.174907D+01 -0.156284D+01 -0.417535D+01 -0.494928D+01
      2   0.849678D+00 -0.177155D+01  0.753186D+00  0.237636D+01  0.235433D+01
      3   0.237420D+00  0.352062D+01  0.809658D+00  0.179898D+01  0.259495D+01
      4   0.929454D+00  0.300311D+00 -0.964445D+00 -0.162243D+01  0.124293D+01
      5   0.177925D+01  0.542437D+00 -0.873684D+00 -0.739936D+00  0.145632D+01
      6   0.651120D-01 -0.111449D+01  0.340206D+01  0.352504D+01  0.117675D+01
               206           207           208           209           210 
      1  -0.520753D+01 -0.119973D+02  0.220997D+01  0.222057D+01  0.576650D+01
      2   0.368202D+01  0.148494D+01 -0.363734D+01 -0.127021D+01 -0.234220D+01
      3   0.152552D+01  0.105124D+02  0.142737D+01 -0.950360D+00 -0.342430D+01
      4  -0.123942D+01 -0.241459D+01  0.263471D+01  0.117920D+01  0.146790D+01
      5  -0.160868D+01 -0.433408D+01  0.568834D+01  0.169558D+01  0.447896D+01
      6   0.470147D+01  0.688160D+01  0.186977D+01 -0.204315D+00  0.451203D+00
               211           212           213           214           215 
      1   0.230668D+01 -0.425275D+01 -0.376976D+01  0.226192D+01 -0.405718D+01
      2  -0.379448D+01  0.460566D+00 -0.154417D+01 -0.401630D+01 -0.535669D+00
      3   0.148780D+01  0.379218D+01  0.531393D+01  0.175439D+01  0.459285D+01
      4  -0.207140D+01  0.166544D+01  0.252593D+01  0.342042D+01  0.378427D+01
      5   0.474849D+01  0.327929D+01  0.641653D+01  0.835869D+01  0.533174D+01
      6  -0.126524D+01  0.308200D+01  0.459961D+01  0.231756D+01  0.613549D+01
               216           217           218           219           220 
      1  -0.188347D+02  0.220336D+01  0.987734D+01  0.189473D+00  0.190489D+02
      2  -0.859428D+01  0.562116D+00 -0.620198D+01 -0.226747D+00 -0.558334D+01
      3   0.274290D+02 -0.276548D+01 -0.367536D+01  0.372736D-01 -0.134656D+02
      4   0.412616D+01  0.531557D+01  0.606840D+00 -0.117621D+01  0.203551D+02
      5   0.219234D+02 -0.220390D+01 -0.411257D+00  0.272410D+00  0.847848D+01
      6   0.594590D+01  0.256831D+01 -0.121890D+01 -0.141664D+01  0.454238D+01
               221           222           223           224           225 
      1  -0.972042D+01 -0.356701D+01  0.511870D+01 -0.416432D+01  0.585372D+00
      2   0.217882D+02  0.487887D+01 -0.306391D+01  0.323001D+01 -0.123073D+01
      3  -0.120678D+02 -0.131186D+01 -0.205479D+01  0.934310D+00  0.645355D+00
      4   0.588257D+02  0.217157D+02  0.414128D+01  0.168911D+02  0.125544D+02
      5   0.201892D+02  0.142714D+02  0.127143D+02  0.126651D+02  0.186730D+02
      6   0.174617D+02  0.113705D+02  0.214469D+01  0.102212D+02  0.689839D+01
               226           227           228           229           230 
      1   0.163941D+02 -0.748821D+01  0.757721D+01 -0.185342D+02  0.169496D+01
      2  -0.117648D+02  0.446839D+01 -0.593681D+01  0.118561D+02 -0.203718D+01
      3  -0.462924D+01  0.301982D+01 -0.164041D+01  0.667809D+01  0.342222D+00
      4  -0.843505D+01  0.384000D+01 -0.557762D+01  0.127586D+02 -0.155437D+02
      5   0.968877D+01 -0.640961D+01  0.121092D+02 -0.155799D+02  0.196281D+02
      6  -0.305664D+01  0.591544D+00 -0.958137D+00  0.437538D+01 -0.631061D+01
               231           232           233           234           235 
      1  -0.505200D+01  0.204274D+02 -0.785001D-01  0.936562D+01  0.981401D+02
      2   0.931752D+01 -0.165459D+02  0.532958D+01 -0.216669D+02 -0.466629D+02
      3  -0.426552D+01 -0.388145D+01 -0.525108D+01  0.123012D+02 -0.514773D+02
      4   0.206756D+02 -0.549430D+01  0.186552D+02 -0.169084D+02  0.653232D+01
      5  -0.247203D+02  0.324264D+02 -0.157445D+02  0.555940D+02 -0.200940D+02
      6   0.898960D+01 -0.264511D+01  0.730266D+01 -0.691312D+01 -0.305805D+01
               236           237           238           239           240 
      1   0.216097D+01 -0.238170D+02 -0.415092D+01  0.102833D+02 -0.776583D+00
      2   0.943011D-01  0.104688D+02  0.333555D+01 -0.338781D+01  0.979649D+00
      3  -0.225527D+01  0.133482D+02  0.815373D+00 -0.689546D+01 -0.203066D+00
      4   0.125558D+02 -0.288159D+01  0.150487D+02  0.356658D+01 -0.256242D+01
      5  -0.199862D+01  0.163336D+02 -0.118491D+01 -0.207590D+01 -0.234956D+01
      6   0.377994D-01  0.158802D+01 -0.265325D+00  0.483947D+00  0.218228D+01
               241           242           243 
      1  -0.467624D+02 -0.281951D+01  0.201387D+02
      2   0.221193D+02  0.137071D+01 -0.110578D+02
      3   0.246431D+02  0.144880D+01 -0.908095D+01
      4  -0.524145D+01 -0.674036D+01  0.289302D+00
      5   0.227904D+02 -0.350893D+00 -0.173565D+02
      6   0.234229D+01  0.177193D+01 -0.259817D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124289D+01      0.315911D+01      0.105377D+02
   x          0.701090D+00      0.178199D+01      0.594408D+01
   y         -0.270005D+00     -0.686284D+00     -0.228920D+01
   z         -0.990123D+00     -0.251664D+01     -0.839461D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124605D+03      0.184645D+02      0.205445D+02
   aniso      0.563378D+02      0.834841D+01      0.928885D+01
   xx         0.161281D+03      0.238994D+02      0.265917D+02
   yx         0.503065D+01      0.745465D+00      0.829442D+00
   yy         0.104214D+03      0.154429D+02      0.171826D+02
   zx         0.311106D+01      0.461011D+00      0.512944D+00
   zy         0.314748D+01      0.466409D+00      0.518950D+00
   zz         0.108319D+03      0.160512D+02      0.178593D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.129762D+03      0.192288D+02      0.213949D+02
   aniso      0.593970D+02      0.880172D+01      0.979324D+01
   xx         0.168567D+03      0.249790D+02      0.277929D+02
   yx         0.503755D+01      0.746488D+00      0.830580D+00
   yy         0.108444D+03      0.160698D+02      0.178800D+02
   zx         0.297865D+01      0.441390D+00      0.491113D+00
   zy         0.295409D+01      0.437752D+00      0.487064D+00
   zz         0.112275D+03      0.166375D+02      0.185117D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.31057103          3.01161153          0.66057137
     6          3.15169930          0.55898889          2.14372613
     6          0.72104114         -1.14537824          1.74743911
     6         -0.68428646         -0.66406633         -0.61938830
     6         -3.12615275         -0.05670664         -0.78313223
     6         -4.36984297          0.40207931         -3.25359649
     8         -3.24387892          0.25109352         -5.25017365
     6          3.56167641          1.04759525          4.95289864
     6          4.78450642         -1.68090019          1.17765614
     6          2.51877902         -3.47451589          1.57415738
     6         -7.14405281          1.07839203         -3.15095843
     1          6.50932251         -2.08450686          2.23064673
     1          5.27022703         -1.47234985         -0.81429324
     1         -0.56889375         -1.13080403          3.35615870
     1          2.11116318         -4.81747347          0.06885585
     1          2.60760481         -4.49976335          3.35605105
     1          3.06113845          2.71024006         -1.36204028
     1          5.15563423          3.89572492          0.94486153
     1          1.86577704          4.35030898          1.28110987
     1          3.45799868         -0.69393072          6.05435274
     1          2.13541212          2.34845247          5.68609534
     1          5.41947208          1.88970801          5.27572033
     1          0.34910321         -0.81935343         -2.38810818
     1         -4.27243619          0.11992801          0.90831120
     1         -7.41615038          2.78555199         -2.01913147
     1         -8.20768111         -0.43132452         -2.22423329
     1         -7.87028210          1.37824008         -5.04921726

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124289D+01      0.315911D+01      0.105377D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.124289D+01      0.315911D+01      0.105377D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124605D+03      0.184645D+02      0.205445D+02
   aniso      0.563378D+02      0.834841D+01      0.928885D+01
   xx         0.147859D+03      0.219104D+02      0.243786D+02
   yx        -0.800009D+01     -0.118549D+01     -0.131904D+01
   yy         0.103918D+03      0.153990D+02      0.171337D+02
   zx         0.223331D+02      0.330942D+01      0.368222D+01
   zy        -0.275125D+01     -0.407694D+00     -0.453620D+00
   zz         0.122037D+03      0.180841D+02      0.201213D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.129762D+03      0.192288D+02      0.213949D+02
   aniso      0.593970D+02      0.880172D+01      0.979324D+01
   xx         0.153934D+03      0.228107D+02      0.253803D+02
   yx        -0.812587D+01     -0.120413D+01     -0.133978D+01
   yy         0.108236D+03      0.160389D+02      0.178457D+02
   zx         0.239521D+02      0.354934D+01      0.394917D+01
   zy        -0.298948D+01     -0.442996D+00     -0.492899D+00
   zz         0.127117D+03      0.188367D+02      0.209587D+02

 ----------------------------------------------------------------------
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 Fatherhood is pretending the present you love most is soap-on-a-rope.
 -- Bill Cosby
 Job cpu time:       0 days  5 hours 32 minutes 56.8 seconds.
 Elapsed time:       0 days  0 hours 41 minutes 46.4 seconds.
 File lengths (MBytes):  RWF=    392 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:27:57 2021.
